SCHEMBL27680970

SCHEMBL27680970

CC(C)n1ncc(C(=O)O)c1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NFE2L2 Q16236 13/20 0.54
KEAP1 Q14145 12/20 0.54
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SPR P35270 1/20 0.41
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC9A1 P19634 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37

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
SCHEMBL4034897 0.83 SPR (0.44) KMT2AKDM4ENFE2L2KEAP1ALDH1A1
SCHEMBL4033790 0.80 PDE4B (0.48) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3678140 0.78 NFE2L2 (0.58) KMT2AKDM4ENFE2L2KEAP1ALDH1A1
SCHEMBL20378225 0.74 KEAP1 (0.54) KMT2ANFE2L2KEAP1ALDH1A1MAPT
SCHEMBL826414 0.74 NFE2L2 (0.54) KMT2ANFE2L2KEAP1ALDH1A1MAPT
SCHEMBL574416 0.74 KDM4E (0.49) KMT2AKDM4EALDH1A1SMN1; SMN2SPR
SCHEMBL24813930 0.73 NFE2L2 (0.52) KMT2AKDM4ENFE2L2KEAP1ALDH1A1
SCHEMBL1694496 0.73 KDM4E (0.48) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL25251448 0.73 KDM4E (0.48) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4032991 0.72 KDM4E (0.38) KMT2AKDM4EALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1930144-A 3-'4-heterocyclyl -1,2,3,-triazol-1-yl!-n-aryl-benzamides as inhibitors of the cytokines production for the treatment of chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMA (US) 2007-03-14 CN disclosed