SCHEMBL7744215

SCHEMBL7744215

Nc1nc2ccccc2cc1-c1nc(-c2ccccc2)c(N2CCCC2=O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NLRP3 Q96P20 3/20 0.38
AKT1 P31749 1/20 0.36
ATM Q13315 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
BRD4 O60885 1/20 0.33
BRDT Q58F21 1/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL7982491 0.89 KDM4E (0.38) KDM4EALDH1A1L3MBTL1TDP1MEN1
SCHEMBL7746666 0.74 KDM4E (0.41) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7969128 0.71 NOX1 (0.48) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL7744109 0.70 KDR (0.54) CYP11B1CYP11B2FLT1FLT4KDR
SCHEMBL8574353 0.66 KMT2A (0.74) KDM4EALDH1A1L3MBTL1TDP1MEN1
SCHEMBL28377822 0.64 TOP2A (0.38) KDM4EALDH1A1NPC1RAB9ABRD4
SCHEMBL5604821 0.62 HTR6 (0.56) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27189725 0.62 MEN1 (0.57) KDM4EALDH1A1L3MBTL1TDP1MEN1
SCHEMBL15619567 0.62 AR (0.39) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15621552 0.61 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1MEN1KMT2A

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 4 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 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