SCHEMBL8985209

SCHEMBL8985209

CSc1ccc(-c2cc(C(=O)N(C)C)sc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRD1 P41143 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MAPK14 Q16539 2/20 0.38

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
SCHEMBL8985239 0.94 NPC1 (0.50) SMN1; SMN2HPGDNPC1OPRD1LMNA
SCHEMBL8985323 0.88 MAPK14 (0.52) SMN1; SMN2HPGDNPC1CYP1A2CYP2C9
SCHEMBL8985495 0.88 MAPK14 (0.52) SMN1; SMN2HPGDNPC1CYP1A2CYP2C9
SCHEMBL8985259 0.86 MAPK14 (0.50) SMN1; SMN2NPC1ALDH1A1CYP1A2POLB
SCHEMBL8985419 0.86 MAPK14 (0.52) SMN1; SMN2NPC1ALDH1A1CYP1A2POLB
SCHEMBL8985416 0.85 NPC1 (0.40) SMN1; SMN2HPGDNPC1OPRD1LMNA
SCHEMBL8985230 0.85 OPRD1 (0.60) SMN1; SMN2HPGDNPC1CYP1A2OPRD1
SCHEMBL8985488 0.82 ALDH1A1 (0.55) SMN1; SMN2HPGDNPC1ALDH1A1CYP1A2
SCHEMBL8985509 0.81 PTGS2 (0.49) SMN1; SMN2HPGDNPC1CYP1A2CYP2C9
SCHEMBL8985265 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HPGDNPC1POLBNPSR1

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 3 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
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed