SCHEMBL31495886

SCHEMBL31495886

COc1ccc(Br)c2cc(N)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.43
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
EGFR P00533 4/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE5A O76074 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP19A1 P11511 1/20 0.36
GAA P10253 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KDR P35968 1/20 0.35
G6PD P11413 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL24715886 0.82 NQO2 (0.47) NQO2NSD2CASP6EGFRL3MBTL1
SCHEMBL4700757 0.78 PDE4A (0.50) NQO2EGFRL3MBTL1HPGDSALDH1A1
SCHEMBL2170435 0.75 NQO2 (0.45) NQO2EGFRALDH1A1CYP19A1
SCHEMBL5582304 0.74 NQO2 (0.45) NQO2KDR
SCHEMBL2554129 0.72 ALOX5AP (0.42) NQO2NSD2CASP6EGFRPOLB
SCHEMBL29855973 0.71 KMT2A (0.54) NQO2NSD2CASP6KDM4EUSP2
SCHEMBL621309 0.71 KMT2A (0.54) NQO2NSD2CASP6KDM4EUSP2
SCHEMBL435849 0.71 HTR1A (0.44) NSD2CASP6EGFRHPGDS
SCHEMBL2134025 0.70 HPGDS (0.60) NQO2CASP6POLBHPGDSKDM4E
SCHEMBL20918931 0.70 CHRNB2 (0.46) NSD2CASP6POLBL3MBTL1KDM4E

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-115279771-B MAP4K1 inhibitors 缆图药品公司 2025-03-21 CN disclosed