SCHEMBL18152286

SCHEMBL18152286

Cn1[nH]c2ccc(C#N)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.41
CSF1R P07333 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FASN P49327 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
SLC6A4 P31645 1/20 0.39
G6PD P11413 1/20 0.39
CHUK O15111 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
IDO1 P14902 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL18152573 0.71 ADAM17 (0.54) ALOX5L3MBTL1MEN1KMT2AKDM4E
SCHEMBL18162676 0.71 FASN (0.41) ALOX5FASNKDM4ETP53NOX4
SCHEMBL2671424 0.70 ALOX5 (0.51) ALOX5KMT2AKDM4ETP53
SCHEMBL28446100 0.69 CHUK (0.56) L3MBTL1MEN1KMT2AFASNKDM4E
SCHEMBL2673327 0.69 ALOX5 (1.00) ALOX5KDM4ETP53
SCHEMBL22533700 0.68 GSK3A (0.53) ALOX5L3MBTL1CSF1RMEN1KMT2A
SCHEMBL25071639 0.68 L3MBTL1 (0.48) L3MBTL1CSF1RMEN1KMT2AFASN
SCHEMBL30545930 0.68 CHUK (0.68) L3MBTL1MEN1KMT2AFASNCHUK
SCHEMBL29402283 0.68 CHUK (0.68) L3MBTL1MEN1KMT2AFASNCHUK
SCHEMBL606784 0.68 CHUK (0.68) L3MBTL1MEN1KMT2AFASNCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP claimed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO claimed