SCHEMBL14516217

SCHEMBL14516217

COc1ccc(C(OC(C)=O)C(=O)Nc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.59
▸ TSHR P16473 1/20 0.56
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ S1PR1 P21453 1/20 0.49
▸ S1PR3 Q99500 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KLK7 P49862 3/20 0.48
▸ FFAR2 O15552 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL24254588 0.81 F2 (0.60) F2POLBNPC1RAB9AKMT2A
SCHEMBL14042779 0.76 POLB (0.56) F2POLBNPC1RAB9AKMT2A
SCHEMBL4710707 0.76 POLB (0.56) F2POLBNPC1RAB9AKMT2A
SCHEMBL11181798 0.75 KMT2A (0.61) F2POLBNPC1RAB9AKMT2A
SCHEMBL1564886 0.74 ALDH1A1 (0.53) F2POLBNPC1RAB9AS1PR1
SCHEMBL1565459 0.74 ALDH1A1 (0.53) F2POLBNPC1RAB9AS1PR1
SCHEMBL12502132 0.74 F2 (1.00) F2NPC1RAB9AKMT2ANPSR1
SCHEMBL1565503 0.74 F2 (0.51) F2POLBNPC1RAB9AKMT2A
SCHEMBL2899163 0.73 NR3C1 (0.67) F2POLBNPC1RAB9AKMT2A
SCHEMBL1565031 0.72 S1PR1 (0.62) F2POLBNPC1RAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208500-B2 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. (US) 2007-04-24 — — US disclosed
US-7208500-B2 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. (US) 2007-04-24 — — US disclosed
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