SCHEMBL7744764

SCHEMBL7744764

O=C(Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1cccs1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 1/20 0.45
MAPT P10636 7/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MITF O75030 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
SCHEMBL7744747 0.89 KDR (0.47) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL7746566 0.88 FLT1 (0.49) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL7739006 0.86 KDR (0.43) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL7744757 0.85 MAPT (0.45) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL7746625 0.85 CA1 (0.46) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL7739025 0.84 FLT1 (0.42) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL7746638 0.84 FLT1 (0.43) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL7744776 0.84 MAPT (0.41) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL7744078 0.82 MAPT (0.49) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL7744652 0.82 KDR (0.44) MAPTKMT2AALDH1A1MEN1HTT

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