SCHEMBL2563371

SCHEMBL2563371

CSc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PTPN1 P18031 3/20 0.65
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 1/20 0.64
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
KDM4E B2RXH2 2/20 0.62
SIRT1 Q96EB6 1/20 0.62
POLB P06746 1/20 0.62
PRMT1 Q99873 1/20 0.57
FFAR1 O14842 1/20 0.57
PGR P06401 1/20 0.57
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56

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
SCHEMBL741176 0.85 SIRT1 (0.72) NPC1RAB9AMAPTSMN1; SMN2PTPN1
SCHEMBL24203622 0.85 PTPN1 (0.69) NPC1RAB9AMAPTSMN1; SMN2PTPN1
SCHEMBL126415 0.84 PTPN1 (0.87) NPC1RAB9AMAPTSMN1; SMN2PTPN1
SCHEMBL11495111 0.84 EPHX1 (0.71) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL25812122 0.84 RAB9A (0.76) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL23977686 0.84 POLB (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2244112 0.83 NPC1 (0.64) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL95932 0.83 PLK1 (0.56) NPC1RAB9AMAPTSMN1; SMN2CACNA1B
SCHEMBL14715824 0.82 NPC1 (0.88) NPC1RAB9AMAPTSMN1; SMN2PTPN1
SCHEMBL18103163 0.82 NPC1 (0.88) NPC1RAB9AMAPTSMN1; SMN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104487433-B Triazolone compounds as mPGES-1 inhibitors 格兰马克药品股份有限公司 2016-12-07 CN disclosed
EP-2382194-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2011-11-02 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0495626-A1 Process for the preparation of tetrazole derivatives ZENECA LIMITED (GB) 1992-07-22 EP disclosed