SCHEMBL7746647

SCHEMBL7746647

CCCCC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
ADORA1 P30542 3/20 0.39
ADORA2A P29274 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
FLT1 P17948 2/20 0.37
FLT4 P35916 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KIT P10721 1/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7744642 0.94 KDR (0.38) KDRADORA1ADORA2AMEN1KMT2A
SCHEMBL7744083 0.90 KDR (0.47) KDRADORA1MEN1KMT2AFLT1
SCHEMBL7739074 0.88 KDR (0.53) KDRADORA2AFLT1FLT4
SCHEMBL7744776 0.87 MAPT (0.41) ADORA1ADORA2AMEN1KMT2ASMN1; SMN2
SCHEMBL7744098 0.87 FLT1 (0.40) KDRADORA1MEN1KMT2AFLT1
SCHEMBL7744763 0.86 KDM4E (0.46) KDRADORA1MEN1KMT2AFLT1
SCHEMBL7739077 0.86 KDR (0.42) KDRADORA1MEN1KMT2AFLT1
SCHEMBL7744673 0.85 LMNA (0.40) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL7744658 0.85 FLT1 (0.39) KDRADORA1MEN1KMT2AFLT1
SCHEMBL7744055 0.85 MEN1 (0.41) MEN1KMT2ASMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US 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