SCHEMBL31418349

SCHEMBL31418349

c1ccc2nc(-c3cnccn3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
CYP3A4 P08684 4/20 0.55
AR P10275 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
DUSP4 Q13115 1/20 0.54
PTP4A1 Q93096 1/20 0.54
METAP2 P50579 1/20 0.50
TP53 P04637 4/20 0.48
MAPT P10636 3/20 0.48
CASP1 P29466 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALOX15 P16050 2/20 0.44
NISCH Q9Y2I1 1/20 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
Quinoline SCHEMBL9745228 0.83 ALDH1A1 (0.65) RAB9ANPC1CYP3A4CYP1A2CYP2C19
SCHEMBL29796417 0.80 TGFBR1 (0.49) CYP3A4DUSP4PTP4A1METAP2MAPT
Hydrochloric Acid SCHEMBL10653147 0.80 RAB9A (0.65) RAB9ANPC1CYP3A4ARCYP1A2
Hydrochloric Acid SCHEMBL2415958 0.80 RAB9A (0.65) RAB9ANPC1CYP3A4ARCYP1A2
SCHEMBL170196 0.79 RAB9A (0.64) RAB9ANPC1CYP3A4ARCYP1A2
SCHEMBL29374931 0.79 RAB9A (0.64) RAB9ANPC1CYP3A4ARCYP1A2
SCHEMBL29746183 0.79 KDM4E (0.61) RAB9ANPC1CYP3A4ARCYP1A2
SCHEMBL500395 0.79 KDM4E (0.61) RAB9ANPC1CYP3A4ARCYP1A2
SCHEMBL29496173 0.79 KDM4E (0.61) RAB9ANPC1CYP3A4ARCYP1A2
SCHEMBL10866984 0.77 RAB9A (0.61) RAB9ANPC1CYP3A4ARCYP1A2

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-119591867-A Polyimide copolymer based on bisphenol A type diether dianhydride monomer 辽宁兴福新材料股份有限公司 2025-03-11 CN claimed