SCHEMBL7744794

SCHEMBL7744794

CCCCC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 4/20 0.41
MAOB P27338 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
HPN P05981 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7744083 0.90 KDR (0.47) LMNASMN1; SMN2KDRKMT2AMEN1
SCHEMBL7744790 0.90 HPN (0.43) PKMLMNANPC1CASP3RAB9A
SCHEMBL7739077 0.89 KDR (0.42) LMNASMN1; SMN2KDRKMT2AMEN1
SCHEMBL7744648 0.88 KDR (0.55) LMNANPC1CASP3RAB9ASMN1; SMN2
SCHEMBL7744763 0.86 KDM4E (0.46) RAB9ASMN1; SMN2KDRKMT2AMEN1
SCHEMBL7744098 0.86 FLT1 (0.40) LMNASMN1; SMN2KDRKMT2AMEN1
SCHEMBL7744787 0.86 KDR (0.47) LMNANPC1CASP3RAB9ASMN1; SMN2
SCHEMBL7744055 0.85 MEN1 (0.41) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7746647 0.84 KDR (0.41) LMNASMN1; SMN2KDRKMT2AMEN1
SCHEMBL7744673 0.84 LMNA (0.40) LMNANPC1RAB9ASMN1; SMN2KMT2A

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 7 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
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP disclosed
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO disclosed