SCHEMBL7744069

SCHEMBL7744069

CCCCC(=O)Nc1oc(-c2ccc(-c3ccccc3)cc2O)nc1C1=CC(=S)CC=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
HPGD P15428 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
ADORA1 P30542 2/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 5/20 0.38
ADORA3 P0DMS8 1/20 0.37
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 4/20 0.34

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
SCHEMBL7746645 0.90 HPN (0.39) HPGDSMN1; SMN2NPSR1TSHRUSP2
SCHEMBL7744769 0.87 KDR (0.53) KDRFLT1FLT4SMN1; SMN2TSHR
SCHEMBL7746568 0.85 KDR (0.41) KDRFLT1FLT4HPGDSMN1; SMN2
SCHEMBL7739022 0.84 KDR (0.54) KDRFLT1FLT4HPGDSMN1; SMN2
SCHEMBL7744056 0.83 HPGD (0.42) KDRFLT1FLT4HPGDSMN1; SMN2
SCHEMBL7986013 0.82 KDR (0.39) KDRFLT1FLT4HPGDSMN1; SMN2
SCHEMBL7982717 0.81 KDR (0.44) KDRFLT1FLT4HPGDKDM4E
SCHEMBL7744659 0.80 KDR (0.50) KDRFLT1FLT4HPGDSMN1; SMN2
SCHEMBL7980106 0.80 KDR (0.42) KDRFLT1FLT4HPGDSMN1; SMN2
SCHEMBL7744162 0.80 KDR (0.45) KDRFLT1FLT4HPGDSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US 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