SCHEMBL7744781

SCHEMBL7744781

O=C(Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccs1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 2/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 6/20 0.43
KDM4E B2RXH2 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
USP2 O75604 1/20 0.43
OPRK1 P41145 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL7746601 0.89 KDR (0.53) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL7744200 0.88 KDR (0.53) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL7746570 0.85 KDR (0.49) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL7746655 0.84 KDR (0.43) MEN1KMT2AMAPTGAALMNA
SCHEMBL7739071 0.84 KDR (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7744087 0.83 KDR (0.46) ADCY1MEN1KMT2AMAPTALDH1A1
SCHEMBL7985540 0.83 KDR (0.47) MEN1KMT2AALDH1A1ALOX15LMNA
SCHEMBL7744061 0.83 KDR (0.50) MAPTHTTLMNAKDM4EFLT1
SCHEMBL7744170 0.82 F2 (0.45) ALDH1A1GAAHSD17B10LMNAKDM4E
SCHEMBL7744057 0.82 HPGD (0.43) MEN1KMT2AMAPTHTTALDH1A1

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