SCHEMBL30876262

SCHEMBL30876262

NCc1ccc(F)c(C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.44
PNMT P11086 1/20 0.39
F2 P00734 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ABAT P80404 1/20 0.34
ENPP2 Q13822 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
CYP2A6 P11509 1/20 0.34
CSNK2A1 P68400 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13164125 1.00 LOXL2 (0.44) LOXL2PNMTF2TAAR1HRH3
SCHEMBL3694809 0.83 LOXL2 (0.41) LOXL2PNMTF2TAAR1HRH3
SCHEMBL22894079 0.82 PDE2A (0.41) LOXL2PNMTF2TAAR1HRH3
SCHEMBL26700116 0.80 LOXL2 (0.39) LOXL2PNMTF2ABATENPP2
SCHEMBL29467938 0.80 LOXL2 (0.39) LOXL2PNMTF2ABATENPP2
SCHEMBL29468007 0.79 LOXL2 (0.38) LOXL2PNMTF2TAAR1HRH3
SCHEMBL28711316 0.79 LOXL2 (0.38) LOXL2PNMTF2TAAR1HRH3
SCHEMBL28711317 0.79 LOXL2 (0.38) LOXL2PNMTF2TAAR1HRH3
SCHEMBL8191012 0.78 GRIN2B (0.41) TAAR1CYP2A6KCNH2
SCHEMBL110823 0.77 LOXL2 (0.52) LOXL2PNMTTAAR1HRH3ABAT

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-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 CN disclosed