SCHEMBL7744096

SCHEMBL7744096

CCCCC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPN P05981 1/20 0.42
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL7739075 0.94 KDR (0.42) MEN1KMT2AHPNSMN1; SMN2MAPT
SCHEMBL7744081 0.94 FLT1 (0.46) MEN1KMT2AHPNSMN1; SMN2MAPT
SCHEMBL7744054 0.92 MEN1 (0.42) MEN1KMT2AHPNSMN1; SMN2MAPT
SCHEMBL7744672 0.90 HPN (0.42) MEN1KMT2AHPNSMN1; SMN2MAPT
SCHEMBL7744656 0.90 MEN1 (0.43) MEN1KMT2AHPNSMN1; SMN2MAPT
SCHEMBL7744758 0.89 ALDH1A1 (0.46) MEN1KMT2AHPNSMN1; SMN2MAPT
SCHEMBL7744098 0.89 FLT1 (0.40) MEN1KMT2ASMN1; SMN2MAPTTHRB
SCHEMBL7744790 0.88 HPN (0.43) MEN1KMT2AHPNSMN1; SMN2MAPT
SCHEMBL7744659 0.88 KDR (0.50) SMN1; SMN2KDRFLT1FLT4ALDH1A1
SCHEMBL7744785 0.87 CYP1A2 (0.40) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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 7 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
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