SCHEMBL31387690

SCHEMBL31387690

COc1cccnc1-c1cc(N)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.43
PLA2G7 Q13093 1/20 0.41
S100A4 P26447 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALOX5AP P20292 1/20 0.40
LMNA P02545 2/20 0.39
PLAU P00749 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
G6PD P11413 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 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
SCHEMBL25394314 1.00 SQOR (0.43) SQORPLA2G7S100A4KDM4CALOX5AP
SCHEMBL25792160 0.81 ALDH1A1 (0.46) S100A4PLAUCCNT1CDK9NSD2
SCHEMBL25792156 0.81 KIT (0.56) S100A4ALOX5APPLAUCCNT1CDK9
SCHEMBL24501220 0.77 CCNT1 (0.39) SQORS100A4ALOX5APPLAUCCNT1
SCHEMBL3865219 0.76 SYK (0.48) SQORS100A4ALOX5APPLAUNSD2
SCHEMBL15674857 0.75 SYK (0.41) CCNT1CDK9PDGFRBPDGFRAMAPT
SCHEMBL7230871 0.75 MAP4K4 (0.50) ALOX5APPLAUALDH1A1
SCHEMBL25392183 0.75 SQOR (0.44) SQORPLA2G7LMNANSD2MAPT
SCHEMBL4412040 0.75 ABL1 (0.46) SQORPLA2G7LMNAPLAUMAPT
SCHEMBL5702570 0.74 CA1 (0.50) S100A4LMNAPLAUPDGFRBPDGFRA

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-119137101-A Compounds, compositions, and methods 尼科治疗有限公司 2024-12-13 CN disclosed