SCHEMBL31456969

SCHEMBL31456969

NCc1cc(F)cc(Nc2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
SOS1 Q07889 1/20 0.46
KCNH3 Q9ULD8 4/20 0.38
MAOB P27338 2/20 0.37
TAAR1 Q96RJ0 2/20 0.36
MAPK10 P53779 1/20 0.36
IDO1 P14902 2/20 0.35
MEN1 O00255 1/20 0.35
PRKD3 O94806 1/20 0.35
EGFR P00533 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
MAPT P10636 1/20 0.35
SRC P12931 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCQ Q04759 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
SCHEMBL27374959 1.00 LOXL2 (0.48) LOXL2SOS1KCNH3MAOBTAAR1
SCHEMBL31457034 0.87 HSD17B10 (0.43) LOXL2SOS1KCNH3MAOBTAAR1
SCHEMBL27374802 0.87 HSD17B10 (0.43) LOXL2SOS1KCNH3MAOBTAAR1
SCHEMBL27375511 0.85 SOS1 (0.41) SOS1MAOBTAAR1MEN1EGFR
SCHEMBL31456939 0.85 SOS1 (0.41) SOS1MAOBTAAR1MEN1EGFR
SCHEMBL31456993 0.84 LOXL2 (0.44) LOXL2SOS1KCNH3TAAR1IDO1
SCHEMBL27374825 0.84 LOXL2 (0.44) LOXL2SOS1KCNH3TAAR1IDO1
SCHEMBL30751434 0.84 ALDH1A1 (0.40) SOS1MEN1MAPTKMT2ATDP1
SCHEMBL31457052 0.84 MAPT (0.52) SOS1KCNH3MAOBMEN1MAPT
SCHEMBL27374880 0.84 ALDH1A1 (0.40) SOS1MEN1MAPTKMT2ATDP1

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-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 CN disclosed