SCHEMBL30828285

SCHEMBL30828285

FC(F)(F)c1ccc2c(c1)CCC2Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
PNMT P11086 4/20 0.45
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
TRPV1 Q8NER1 2/20 0.39
PDE2A O00408 1/20 0.38
KDM1A O60341 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL23850011 1.00 SRD5A1 (0.49) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL23853077 0.86 HTR2C (0.50) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL1863996 0.79 PNMT (0.53) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL21035374 0.79 SRD5A1 (0.49) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL3682570 0.79 SRD5A1 (0.49) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL24501866 0.79 SRD5A1 (0.52) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL24500955 0.79 SRD5A1 (0.52) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL24452647 0.79 PNMT (0.53) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL15086540 0.79 PNMT (0.53) SRD5A1PNMTCHRNB2CHRNA4CHRNB4
SCHEMBL29495985 0.79 PNMT (0.53) SRD5A1PNMTCHRNB2CHRNA4CHRNB4

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
CN-117561061-A Combination of 3- (imidazol-4-yl) -4- (amino) -benzenesulfonamide TEAD inhibitors with EGFR inhibitors and/or MEK inhibitors for the treatment of lung cancer 医肯纳肿瘤学公司 2024-02-13 CN disclosed