SCHEMBL7746638

SCHEMBL7746638

O=C(Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC2 Q92769 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
SCHEMBL7746566 0.94 FLT1 (0.49) FLT1FLT4KDRKMT2AMEN1
SCHEMBL7744809 0.94 AKR1C4 (0.41) FLT1FLT4KDRKMT2AMEN1
SCHEMBL7744652 0.91 KDR (0.44) FLT1FLT4KDRKMT2AMEN1
SCHEMBL7739025 0.90 FLT1 (0.42) FLT1FLT4KDRKMT2AMEN1
SCHEMBL7744065 0.89 KDR (0.54) FLT1FLT4KDRAURKAMAPT
SCHEMBL7744757 0.89 MAPT (0.45) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL7746635 0.89 HDAC2 (0.49) FLT1FLT4KDRKMT2AMEN1
SCHEMBL7746625 0.88 CA1 (0.46) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL7739006 0.86 KDR (0.43) FLT1FLT4KDRKMT2AMEN1
SCHEMBL7744078 0.86 MAPT (0.49) FLT1FLT4KDRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP claimed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP claimed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO claimed
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed