SCHEMBL2552349

SCHEMBL2552349

O=C(Oc1ccccc1)N(Sc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ATM Q13315 1/20 0.59
PTGES O14684 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
GFER P55789 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2546393 0.89 L3MBTL1 (0.51) L3MBTL1TDP1ATMPTGESNPSR1
SCHEMBL11349580 0.81 L3MBTL1 (0.41) L3MBTL1TDP1ATMPTGESNPSR1
SCHEMBL4654046 0.79 NPSR1 (0.43) L3MBTL1TDP1ATMNPSR1RAB9A
SCHEMBL11297916 0.79 NPSR1 (0.43) L3MBTL1TDP1ATMNPSR1RAB9A
SCHEMBL9366366 0.76 TDP1 (0.52) L3MBTL1TDP1ATMPTGESNPSR1
SCHEMBL9353496 0.76 ALDH1A1 (0.41) L3MBTL1TDP1ATMNPSR1RAB9A
SCHEMBL867886 0.75 L3MBTL1 (1.00) L3MBTL1TDP1ATMPTGESNPSR1
SCHEMBL10871503 0.75 L3MBTL1 (0.70) L3MBTL1TDP1ATMPTGESNPSR1
SCHEMBL11094305 0.75 TDP1 (0.46) L3MBTL1TDP1ATMPTGESNPSR1
SCHEMBL11263580 0.74 POLB (0.43) L3MBTL1TDP1ATMNPSR1RAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-103788014-A Preparation methods of 10 H-dibenzo[b,f][1,4]thiazepin-11-one and quetiapine ANHUI ANTENG PHARMACEUTICAL CO LTD 2014-05-14 CN disclosed
WO-2011121602-A1 PROCESS FOR PREPARATION OF DIBENZOTHIAZEPINONE COMPOUNDS HIKAL LIMITED (IN) 2011-10-06 WO disclosed
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 disclosed
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 disclosed
WO-2007004234-A1 A PROCESS FOR THE PREPARATION OF 2-[2-(4-DIBENZO[b,f] [L,4] THIAZEPIN-11-yl-1- PIPERAZINYL)ETHOXY] ETHANOL FUMARATE USV LIMITED (IN) 2007-01-11 WO disclosed
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 disclosed
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 disclosed
CN-1239487-C Internediate for preparing quetiapin and preparation method of the intermediate EGIS GYOGYSZERGYAR RESZVENYTAR (HU) 2006-02-01 CN 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
CN-1177839-C Preparation method of quetiapine and intermediate thereof ����˹ҩ�﹤�� 2004-12-01 CN disclosed
CN-1537847-A Internediate for preparing quetiapin and preparation method of the intermediate ����˹ҩ�﹤�� 2004-10-20 CN disclosed
CN-1396916-A Preparation method of quetiapine and intermediate thereof EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-02-12 CN disclosed
EP-0240228-B1 THIAZEPINE COMPOUNDS ICI AMERICAS INC. (US) 1990-11-07 EP disclosed
EP-0240228-A1 Thiazepine compounds ICI AMERICAS INC. (US) 1987-10-07 EP disclosed