SCHEMBL7744776

SCHEMBL7744776

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
POLB P06746 2/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL7744083 0.88 KDR (0.47) MAPTPOLBADORA1LMNAMEN1
SCHEMBL7744747 0.87 KDR (0.47) MAPTPOLBADORA2ALMNAMEN1
SCHEMBL7746647 0.87 KDR (0.41) MAPTADORA1ADORA2ALMNAMEN1
SCHEMBL7744673 0.87 LMNA (0.40) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL7744055 0.86 MEN1 (0.41) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7744098 0.85 FLT1 (0.40) MAPTADORA1LMNAMEN1KMT2A
SCHEMBL7744658 0.85 FLT1 (0.39) MAPTADORA1LMNAMEN1KMT2A
SCHEMBL7744763 0.84 KDM4E (0.46) MAPTPOLBADORA1MEN1KMT2A
SCHEMBL7739077 0.84 KDR (0.42) MAPTADORA1LMNAMEN1KMT2A
SCHEMBL7744764 0.84 ADCY1 (0.45) MAPTPOLBLMNAMEN1KMT2A

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