SCHEMBL7744655

SCHEMBL7744655

CCCCC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.50
GLA P06280 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
ABL1 P00519 2/20 0.43
PDGFRB P09619 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
POLB P06746 2/20 0.43
BCR P11274 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42

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 0.91 KDR (0.50) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL7744660 0.86 KDR (0.44) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7744194 0.86 ADORA1 (0.46) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7739016 0.86 KDR (0.56) HPGDALDH1A1HSD17B10ABL1POLB
SCHEMBL7744044 0.85 HPGD (0.44) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL7744165 0.85 HPGD (0.44) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL7744076 0.85 KDR (0.46) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL7739010 0.85 KDR (0.47) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7744651 0.85 HPGD (0.51) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL7746631 0.84 KDR (0.42) HPGDKDM4EALDH1A1HSD17B10RAB9A

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 8 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
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US 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