SCHEMBL7744075

SCHEMBL7744075

O=C(Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1cccnc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 1/20 0.49
HDAC2 Q92769 1/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA4 P43681 1/20 0.46
HPN P05981 1/20 0.46
ALDH1A1 P00352 3/20 0.44
F12 P00748 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.43
POLB P06746 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7746563 0.92 HDAC2 (0.53) MAPTSMN1; SMN2KDM4EHTTGFER
SCHEMBL7744167 0.89 HDAC1 (0.53) KDM4ERAB9AHDAC2ALDH1A1F12
SCHEMBL7744078 0.89 MAPT (0.49) MAPTSMN1; SMN2KDM4EHTTGFER
SCHEMBL7739065 0.89 KDR (0.50) MAPTSMN1; SMN2KDM4EHTTGFER
SCHEMBL7746635 0.88 HDAC2 (0.49) MAPTSMN1; SMN2KDM4EHTTTDP1
SCHEMBL7744650 0.87 HDAC2 (0.48) MAPTSMN1; SMN2KDM4EHTTTDP1
SCHEMBL7739023 0.86 HDAC2 (0.48) MAPTSMN1; SMN2KDM4EHTTTDP1
SCHEMBL7746621 0.86 HDAC2 (0.49) MAPTSMN1; SMN2KDM4EHTTTDP1
SCHEMBL7744754 0.85 HDAC2 (0.48) MAPTSMN1; SMN2KDM4EHTTTDP1
SCHEMBL7744786 0.85 PLG (0.50) MAPTSMN1; SMN2KDM4EHTTTDP1

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