SCHEMBL28778953

SCHEMBL28778953

CCc1ccc2c(=O)n(-c3ccc(NC(C(=O)O)c4ccc(N)s4)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRM1 Q13255 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ F9 P00740 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30

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
SCHEMBL3836616 0.89 MEN1 (0.34) THRBTP53POLBMAPTGRM1
SCHEMBL1640301 0.77 F10 (0.39) RXFP1
SCHEMBL3835105 0.76 ROCK2 (0.36) —
SCHEMBL3839792 0.75 EGFR (0.34) THRBTP53POLBMAPTGRM1
SCHEMBL3834826 0.72 F10 (0.34) —
SCHEMBL3837178 0.70 P2RY12 (0.40) GRM1
SCHEMBL3836854 0.70 EGFR (0.36) TP53MAPTGRM1
SCHEMBL3840536 0.66 F10 (0.33) MEN1KMT2A
SCHEMBL3833858 0.65 CYP11B1 (0.40) POLB
SCHEMBL1640705 0.65 F10 (0.36) RXFP1

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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