SCHEMBL7744076

SCHEMBL7744076

CCCCC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.46
FLT1 P17948 3/20 0.42
KIT P10721 2/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FLT4 P35916 1/20 0.41
ADORA1 P30542 4/20 0.40
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7739024 0.90 KDR (0.50) KDRFLT1HPGDSMN1; SMN2USP2
SCHEMBL7744642 0.90 KDR (0.38) KDRFLT1KITHPGDSMN1; SMN2
SCHEMBL7744057 0.87 HPGD (0.43) KDRFLT1HPGDSMN1; SMN2USP2
SCHEMBL7744772 0.86 KDR (0.61) KDRFLT1SMN1; SMN2TSHRFLT4
SCHEMBL7744660 0.86 KDR (0.44) KDRFLT1HPGDSMN1; SMN2USP2
SCHEMBL7744194 0.86 ADORA1 (0.46) KDRFLT1HPGDSMN1; SMN2USP2
SCHEMBL7744655 0.85 HPGD (0.50) KDRFLT1HPGDSMN1; SMN2USP2
SCHEMBL7744044 0.85 HPGD (0.44) KDRFLT1HPGDSMN1; SMN2USP2
SCHEMBL7744165 0.85 HPGD (0.44) KDRFLT1HPGDSMN1; SMN2USP2
SCHEMBL7739010 0.84 KDR (0.47) KDRFLT1HPGDSMN1; SMN2USP2

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