SCHEMBL27777360

SCHEMBL27777360

NC(=O)Nc1ccc(-n2c(=O)[nH]c3cc(NCc4ccc(F)cc4)ccc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.47
▸ MAPT P10636 4/20 0.45
▸ RXFP1 Q9HBX9 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ STING1 Q86WV6 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ ERCC1 P07992 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL1639104 0.82 P2RY12 (0.48) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL13635114 0.79 P2RY12 (0.66) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL14273477 0.79 HTR3A (0.42) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL1639052 0.79 RXFP1 (0.40) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL1639624 0.78 RXFP1 (0.50) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL3836486 0.78 RXFP1 (0.42) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL1640111 0.78 RXFP1 (0.49) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL1640694 0.78 RAB9A (0.44) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL3834758 0.76 RXFP1 (0.41) HTR3AMAPTRXFP1TP53SMN1; SMN2
SCHEMBL4418832 0.76 P2RY12 (0.54) HTR3AMAPTRXFP1TP53SMN1; SMN2

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-101534832-A Substituted nitrogen containing heterocycles as platelet ADP receptor inhibitors PORTOLA PHARM INC (US) 2009-09-16 — — CN disclosed
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