SCHEMBL8985265

SCHEMBL8985265

CSc1ccc(-c2cc(C(=O)N(C)C)sc2-c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIK3CA P42336 5/20 0.38
MAPK14 Q16539 3/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL8985360 0.87 MAPK14 (0.40) SMN1; SMN2NPC1HPGDMAPK1MAPT
SCHEMBL8985251 0.87 MAPK14 (0.47) NPC1HPGDMAPK1MAPTMAPK14
SCHEMBL8985263 0.86 NOTUM (0.41) NPC1MAPK1MAPTMAPK14PTGS1
SCHEMBL8985239 0.85 NPC1 (0.50) SMN1; SMN2NPC1HPGDMAPK14PTGS1
SCHEMBL8985416 0.85 NPC1 (0.40) SMN1; SMN2NPC1HPGDMAPK1PIK3CA
SCHEMBL8985323 0.84 MAPK14 (0.52) SMN1; SMN2NPC1HPGDPIK3CAMAPK14
SCHEMBL8985495 0.84 MAPK14 (0.52) SMN1; SMN2NPC1HPGDPIK3CAMAPK14
SCHEMBL8985377 0.83 PTGS2 (0.46) SMN1; SMN2NPC1HPGDNPSR1PTGS1
SCHEMBL8985209 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPC1HPGDMAPTNPSR1
SCHEMBL8985230 0.78 OPRD1 (0.60) SMN1; SMN2NPC1HPGDMAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed