SCHEMBL31331891

SCHEMBL31331891

Cc1cc(=O)[nH]c2cc(Nc3ccc(F)cc3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 7/20 0.66
▸ KDM4E B2RXH2 3/20 0.51
▸ GLA P06280 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TNKS O95271 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ AR P10275 7/20 0.47
▸ ERCC1 P07992 1/20 0.42
▸ DNASE1 P24855 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ ERCC4 Q92889 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41

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
SCHEMBL1378769 0.82 TNKS2 (0.75) TNKS2KDM4EGLAGAATP53
SCHEMBL31331956 0.81 AR (0.68) AR
SCHEMBL15159310 0.79 AR (0.65) TNKS2KDM4EGLAGAATP53
SCHEMBL27582072 0.75 KDM4E (0.48) TNKS2KDM4EGLAGAATP53
SCHEMBL14399200 0.74 HPGD (0.63) TNKS2KDM4EGLAGAATP53
SCHEMBL14193711 0.73 KDM4E (0.55) TNKS2KDM4EGLAGAATP53
SCHEMBL11468572 0.72 LMNA (0.62) TNKS2KDM4EGLAGAATP53
SCHEMBL31331731 0.72 ALDH1A1 (0.76) KDM4EGLAGAASMN1; SMN2ALDH1A1
SCHEMBL2795205 0.71 KDM4E (0.67) TNKS2KDM4EGLAGAATP53
SCHEMBL7923976 0.71 KDM4E (0.53) TNKS2KDM4EGLAGAATP53

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-119285594-A 7-Aminobenzopyrone or 7-aminoquinolinone compound and application thereof 浙江大学金华研究院 2025-01-10 — — CN disclosed
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