SCHEMBL4974179

SCHEMBL4974179

NC(=O)c1ccnc(Br)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ DGAT1 O75907 1/20 0.36
▸ PARP1 P09874 4/20 0.35
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 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
SCHEMBL30238408 0.81 L3MBTL1 (0.46) L3MBTL1TRPV1KDM4EKMT2ACCNC
SCHEMBL25251294 0.77 L3MBTL1 (0.46) L3MBTL1KDM4EKMT2ADGAT1PARP1
SCHEMBL27096681 0.77 KDM4E (0.43) L3MBTL1KDM4EDGAT1PARP1AKT1
SCHEMBL30881695 0.77 KDM4E (0.43) L3MBTL1KDM4EDGAT1PARP1AKT1
SCHEMBL15991433 0.73 SIRT3 (0.43) L3MBTL1KDM4ECCNCCDK8DGAT1
SCHEMBL28182603 0.72 KMT2A (0.38) L3MBTL1KDM4EKMT2AALDH1A1CDC7
SCHEMBL27968402 0.71 PARP1 (0.43) KDM4EDGAT1PARP1ALDH1A1SMN1; SMN2
SCHEMBL31156314 0.71 PARP1 (0.43) KDM4EDGAT1PARP1ALDH1A1SMN1; SMN2
SCHEMBL27722750 0.71 PARP1 (0.49) KDM4EPARP1AURKAALDH1A1SMN1; SMN2
SCHEMBL45808 0.71 L3MBTL1 (0.41) L3MBTL1KDM4EPARP1AURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 — — WO disclosed
Send feedback