SCHEMBL7744773

SCHEMBL7744773

CCCCC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1C1=CC=CCC1=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 3/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7744056 0.89 HPGD (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7744746 0.89 HPN (0.45) HPNSMN1; SMN2MAPTTP53
SCHEMBL7744761 0.86 HPN (0.46) HPNMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7744081 0.85 FLT1 (0.46) HPNMEN1KMT2AALDH1A1HPGD
SCHEMBL7746645 0.85 HPN (0.39) HPNMEN1KMT2AALDH1A1HPGD
SCHEMBL7744096 0.83 MEN1 (0.42) HPNMEN1KMT2AALDH1A1HPGD
SCHEMBL7744054 0.83 MEN1 (0.42) HPNMEN1KMT2AALDH1A1HPGD
SCHEMBL7739075 0.83 KDR (0.42) HPNMEN1KMT2AALDH1A1HPGD
SCHEMBL7744672 0.82 HPN (0.42) HPNMEN1KMT2AALDH1A1HPGD
SCHEMBL7744758 0.82 ALDH1A1 (0.46) HPNMEN1KMT2AALDH1A1HPGD

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