SCHEMBL7549814

SCHEMBL7549814

COC(=O)c1cccc2c1c(-c1cncc(-c3cccc(OC)c3)c1)cn2CCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
KDR P35968 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 5/20 0.44
KCNH2 Q12809 1/20 0.44
SMYD2 Q9NRG4 3/20 0.43
AVPR1B P47901 6/20 0.42

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
SCHEMBL7987965 0.95 KDR (0.45) FLT1FLT4KDRKDM4EALDH1A1
SCHEMBL7550186 0.94 KDR (0.49) FLT1FLT4KDRKDM4EALDH1A1
SCHEMBL7551275 0.93 KDR (0.47) FLT1FLT4KDRKDM4EALDH1A1
SCHEMBL7549576 0.92 KDR (0.51) FLT1FLT4KDRKDM4EALDH1A1
SCHEMBL7987672 0.90 KDR (0.47) FLT1FLT4KDRHRH3SMYD2
SCHEMBL7990656 0.88 CYP1A2 (0.48) FLT1FLT4KDRALDH1A1AVPR1B
SCHEMBL7555418 0.88 KDR (0.47) FLT1FLT4KDRKMT2AHRH3
SCHEMBL7994209 0.88 KDR (0.46) FLT1FLT4KDRKDM4EALDH1A1
SCHEMBL7554912 0.87 KDR (0.50) FLT1FLT4KDRKMT2AHRH3
SCHEMBL7549476 0.86 KDR (0.65) FLT1FLT4KDRKDM4EALDH1A1

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-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed