SCHEMBL7744078

SCHEMBL7744078

O=C(Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1cccnc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 2/20 0.45
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 3/20 0.42
KDR P35968 2/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
PDE5A O76074 2/20 0.41
CHRNB2 P17787 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
SCHEMBL7746566 0.92 FLT1 (0.49) MAPTHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL7739067 0.90 KDR (0.52) MAPTKDM4EHTTGFERSMN1; SMN2
SCHEMBL7744075 0.89 MAPT (0.53) MAPTKDM4EHTTGFERSMN1; SMN2
SCHEMBL7744652 0.86 KDR (0.44) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7746638 0.86 FLT1 (0.43) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL7739006 0.84 KDR (0.43) MAPTHTTRAB9AALDH1A1MEN1
SCHEMBL7739025 0.84 FLT1 (0.42) MAPTKDM4EHTTSMN1; SMN2TDP1
SCHEMBL7744763 0.84 KDM4E (0.46) MAPTKDM4EHTTGFERSMN1; SMN2
SCHEMBL7744787 0.84 KDR (0.47) MAPTKDM4EHTTSMN1; SMN2TDP1
SCHEMBL7744757 0.84 MAPT (0.45) MAPTRAB9AALDH1A1MEN1KMT2A

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