SCHEMBL348705

SCHEMBL348705

O=CC1Cc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
BRD4 O60885 4/20 0.41
CREBBP Q92793 3/20 0.41
AR P10275 1/20 0.39
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
TSHR P16473 2/20 0.34
EP300 Q09472 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL14306724 1.00 MAPT (0.50) MAPTGAABRD4CREBBPAR
SCHEMBL7551415 1.00 MAPT (0.50) MAPTGAABRD4CREBBPAR
SCHEMBL28561657 0.83 CREBBP (0.49) MAPTGAABRD4CREBBPAR
SCHEMBL1550271 0.81 MTNR1A (0.42) MAPTGAAAHRPDK2NPC1
SCHEMBL30929595 0.81 MTNR1A (0.42) MAPTGAAAHRPDK2NPC1
SCHEMBL18292608 0.80 MAPT (0.46) MAPTGAABRD4CREBBPAR
SCHEMBL7551246 0.80 MAPT (0.46) MAPTGAABRD4CREBBPAR
SCHEMBL10406276 0.80 MAPT (0.46) MAPTGAABRD4CREBBPAR
SCHEMBL18567158 0.80 MAPT (0.46) MAPTGAABRD4CREBBPAR
SCHEMBL19663521 0.80 MAPT (0.46) MAPTGAABRD4CREBBPAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724066-B Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof 海南鑫开源医药科技有限公司 2022-10-21 CN claimed
CN-114369087-A Synthesis and application of lactone analogue with indoline-2-ketone skeleton 南开大学 2022-04-19 CN claimed
CN-112961150-A Impurities in ziprasidone hydrochloride and preparation method thereof 海南鑫开源医药科技有限公司 2021-06-15 CN claimed
CN-112778298-A Impurities in ziprasidone hydrochloride and preparation method thereof 海南鑫开源医药科技有限公司 2021-05-11 CN claimed
CN-112724066-A Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof 海南鑫开源医药科技有限公司 2021-04-30 CN claimed
CN-109963851-A The bicyclic pyridine compound of fusion and its purposes as ampa receptor regulator 詹森药业有限公司 2019-07-02 CN claimed
CN-106459068-B Novel compositions, uses and processes for their preparation 皮梅拉股份有限公司 2019-01-22 CN claimed
CN-108349942-A Indolin-2-one derivative for treating CNS and relevant disease 豪夫迈·罗氏有限公司 2018-07-31 CN claimed
CN-107567452-A Imidazopyrazine and pyrazolopyrimidine and their purposes as ampa receptor conditioning agent 詹森药业有限公司 2018-01-09 CN claimed
CN-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 CN claimed
CN-101679404-A piperidine-amide derivatives HOFFMANN LA ROCHE 2010-03-24 CN claimed
CN-101033226-A 1-furylmethyl-3-substituted indolin-2-one derivative UNIV FUDAN (CN) 2007-09-12 CN claimed
CN-1970556-A 1-furfuryl-3-substituted Indolinyl-2-one derivative, its preparation method and uses UNIV FUDAN (CN) 2007-05-30 CN claimed
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US claimed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO claimed
JP-H09501913-A 1997-02-25 JP claimed
EP-0738154-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH Abbott Laboratories (US) 1996-10-23 EP claimed
EP-0738154-A4 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LAB (US) 1996-04-12 EP claimed
US-5502035-A N-terminus modified analogs of LHRH TAP HOLDINGS INC. (US) 1996-03-26 US claimed
WO-1995004541-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LABORATORIES (US) 1995-02-16 WO claimed