SCHEMBL9028

SCHEMBL9028

O=C(Nc1ccccc1Sc1ccccc1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 4/20 0.57
BLM P54132 1/20 0.57
L3MBTL1 Q9Y468 8/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
ATM Q13315 1/20 0.56
GLA P06280 1/20 0.54
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28173861 0.93 TDP1 (0.54) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL1568658 0.90 L3MBTL1 (0.61) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL2546392 0.90 L3MBTL1 (0.61) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL9049960 0.84 MAPT (0.64) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL11094302 0.80 ALDH1A1 (0.59) TDP1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL4654049 0.80 TDP1 (0.72) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL1641651 0.78 KMT2A (0.55) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL28896841 0.76 TDP1 (1.00) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL1837393 0.76 KMT2A (0.53) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL7716853 0.76 L3MBTL1 (0.53) TDP1MAPTKMT2AALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660469-B1 PROCESS FOR THE PREPARATION OF 11-(1-PIPERAZINYL)DIBENZO 'B, F! '1 ,4!-THIAZEPINE, AN INTERMEDIATE IN THE SYNTHESIS OF THE ANTIPSYCHOTIC DRUG QUETIAPINE HELM AG (DE) 2007-08-29 EP claimed
EP-1660469-A1 PROCESS FOR THE PREPARATION OF 11-(1-PIPERAZINYL)DIBENZO 'B, F! '1 ,4!-THIAZEPINE, AN INTERMEDIATE IN THE SYNTHESIS OF THE ANTIPSYCHOTIC DRUG QUETIAPINE Helm AG (DE) 2006-05-31 EP claimed
WO-2005012274-A1 PROCESS FOR THE PREPARATION OF 11-(1-PIPERAZINYL)DIBENZO `B, F! `1 ,4!-THIAZEPINE, AN INTERMEDIATE IN THE SYNTHESIS OF THE ANTIPSYCHOTIC DRUG QUETIAPINE HELM AG (DE) 2005-02-10 WO claimed
CN-105859653-B A kind of synthetic method of Quetiapine 嘉兴学院 2018-12-14 CN disclosed
CN-107223121-A Wet stable holographic media 科思创德国股份有限公司 2017-09-29 CN disclosed
CN-105859653-A Quetiapine synthesizing method 嘉兴学院 2016-08-17 CN disclosed
CN-103788014-B The method of preparation 10H-dibenzo [b, f] [Isosorbide-5-Nitrae] sulphur azatropylidene-11-ketone and Quetiapine ANHUI ANTENG PHARMACEUTICAL CO., LTD. (CN) 2016-04-27 CN disclosed
WO-2011121602-A1 PROCESS FOR PREPARATION OF DIBENZOTHIAZEPINONE COMPOUNDS HIKAL LIMITED (IN) 2011-10-06 WO disclosed
WO-2011121602-A1 PROCESS FOR PREPARATION OF DIBENZOTHIAZEPINONE COMPOUNDS HIKAL LIMITED (IN) 2011-10-06 WO disclosed
EP-1781646-B1 PROCESS FOR THE PREPARATION OF 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]-1-PIPERAZINYL)DIBENZO[b,f][1,4]THIAZEPINE SK HOLDINGS CO LTD (KR) 2010-08-18 EP disclosed
US-7678902-B2 Process for the preparation of 11-(4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl)dibenzo[b,f][1,4]thiazepine SK HOLDINGS CO., LTD. (KR) 2010-03-16 US disclosed
WO-2006001619-A1 PROCESS FOR THE PREPARATION OF 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]-I-PIPERAZINYL)DIB ENZO[b,f][l,4]THIAZEPINE SK CORPORATION (KR) 2006-01-05 WO disclosed
WO-2005012274-A1 PROCESS FOR THE PREPARATION OF 11-(1-PIPERAZINYL)DIBENZO `B, F! `1 ,4!-THIAZEPINE, AN INTERMEDIATE IN THE SYNTHESIS OF THE ANTIPSYCHOTIC DRUG QUETIAPINE HELM AG (DE) 2005-02-10 WO disclosed
WO-2005012274-A1 PROCESS FOR THE PREPARATION OF 11-(1-PIPERAZINYL)DIBENZO `B, F! `1 ,4!-THIAZEPINE, AN INTERMEDIATE IN THE SYNTHESIS OF THE ANTIPSYCHOTIC DRUG QUETIAPINE HELM AG (DE) 2005-02-10 WO disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 EP disclosed
EP-0282236-B1 PROCESS FOR THE PREPARATION OF A THIAZEPINE COMPOUND IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-11 EP disclosed
EP-0240228-B1 THIAZEPINE COMPOUNDS ICI AMERICAS INC. (US) 1990-11-07 EP disclosed
US-4879288-A Novel dibenzothiazepine antipsychotic ICI AMERICAS INC. (US) 1989-11-07 US disclosed
EP-0282236-A1 Process for the preparation of a thiazepine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-14 EP disclosed
EP-0240228-A1 Thiazepine compounds ICI AMERICAS INC. (US) 1987-10-07 EP disclosed