SCHEMBL31489085

SCHEMBL31489085

Nc1ccc(NC(=O)N2Cc3cc(F)cc(F)c3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 3/20 0.46
NAMPT P43490 17/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ROCK2 O75116 2/20 0.44

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
SCHEMBL31488935 0.83 MEN1 (0.55) TAS1R3TAS1R1TAS1R2NAMPTNPC1
SCHEMBL31489000 0.83 NAMPT (0.51) TAS1R3TAS1R1TAS1R2NAMPT
SCHEMBL31488795 0.81 NAMPT (0.67) NAMPT
Hydrochloric Acid SCHEMBL31488963 0.80 NAMPT (0.66) NAMPT
SCHEMBL31488821 0.79 NAMPT (0.52) NAMPTNPC1RAB9A
SCHEMBL31489143 0.79 NAMPT (0.42) TAS1R3TAS1R1TAS1R2NAMPTROCK2
SCHEMBL31488803 0.79 NAMPT (0.69) NAMPTNPC1RAB9AROCK2
SCHEMBL31488807 0.78 NAMPT (0.51) NAMPTNPC1RAB9A
SCHEMBL31488991 0.77 NAMPT (0.52) NAMPTNPC1RAB9A
SCHEMBL31489058 0.77 NAMPT (0.41) TAS1R3TAS1R1TAS1R2NAMPT

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
WO-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed