SCHEMBL8941351

SCHEMBL8941351

CNC(=O)N(O)CC#Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 8/20 0.48
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 4/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8941364 0.92 PPARG (0.47) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941348 0.88 PPARG (0.48) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941319 0.81 PPARG (0.50) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941430 0.80 ALOX5 (0.51) PPARGPPARA
SCHEMBL8941556 0.79 PPARG (0.48) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941553 0.79 PPARG (0.48) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941589 0.78 PPARG (0.49) PPARGPPARATSHRNPC1RAB9A
SCHEMBL8941404 0.76 ALOX5 (0.54) PPARGPPARA
SCHEMBL8941436 0.75 PPARG (0.47) PPARGPPARA
SCHEMBL4729172 0.72 NPC1 (0.45) TSHRNPC1RAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552424-A Isoxazolines as antiinflammatory agents PFIZER INC. (US) 1996-09-03 US disclosed