SCHEMBL8787449

SCHEMBL8787449

NC(=O)N1C(=O)/C(=C(/OC(=O)/C=C/C(=O)OCCCCc2ccccc2)c2cccs2)c2cc(F)c(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
AKR1B10 O60218 3/20 0.33
AKR1B1 P15121 3/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.30
BRCA1 P38398 1/20 0.30

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
SCHEMBL8787452 1.00 SCN5A (0.33) SCN5ASCN2AAKR1B10AKR1B1HCAR2
SCHEMBL8788616 0.90 APP (0.32) HCAR2
SCHEMBL8788608 0.90 APP (0.32) HCAR2
SCHEMBL8786989 0.86 LMNA (0.32) NPC1LMNAGLABRCA1
SCHEMBL8788475 0.86 ALDH1A1 (0.34) NPC1
SCHEMBL8788471 0.86 ALDH1A1 (0.34) NPC1
SCHEMBL8787652 0.85 GLA (0.35) SCN5ASCN2AGPR52NPC1CYP1A2
SCHEMBL9449534 0.85 GLA (0.35) SCN5ASCN2AGPR52NPC1CYP1A2
SCHEMBL8787335 0.83 MAPT (0.33) NPC1LMNA
SCHEMBL8787340 0.83 MAPT (0.33) NPC1LMNA

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
EP-0681580-B1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES PFIZER (US) 1997-07-09 EP disclosed
US-5270331-A Prodrugs of antiinflammatory 3-acyl-2-oxindole-1-carboxamides PFIZER, INC. (US) 1993-12-14 US disclosed