SCHEMBL7565219

SCHEMBL7565219

NC(=O)Nc1sccc1C(=O)Nc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.66
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
PTBP1 P26599 1/20 0.56
KLF5 Q13887 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK8 P45983 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
CYP11B2 P19099 2/20 0.52
HIF1A Q16665 1/20 0.51
CYP11B1 P15538 1/20 0.51
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
KCNMA1 Q12791 1/20 0.48
PRKCI P41743 1/20 0.48

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
SCHEMBL13164049 0.80 NAMPT (1.00) NAMPTLMNAHTTPTBP1KLF5
SCHEMBL162008 0.78 RAB9A (0.65) NAMPTLMNAHTTALDH1A1MEN1
SCHEMBL29655934 0.78 RAB9A (0.65) NAMPTLMNAHTTALDH1A1MEN1
Hydrochloric Acid SCHEMBL27677130 0.76 RAB9A (0.62) NAMPTLMNAHTTALDH1A1MEN1
SCHEMBL2155229 0.75 MAPK8 (0.70) LMNASMN1; SMN2MAPK8ALDH1A1MEN1
SCHEMBL7567658 0.75 KMT2A (0.54) SMN1; SMN2MAPK8MEN1KMT2AKDM4E
SCHEMBL29099760 0.75 ALDH1A1 (0.70) NAMPTLMNAHTTALDH1A1MEN1
SCHEMBL20303176 0.74 NAMPT (0.71) NAMPTLMNAHTTPTBP1KLF5
Boric Acid SCHEMBL29121086 0.74 RAB9A (0.59) NAMPTLMNAHTTALDH1A1MEN1
SCHEMBL1848072 0.73 LMNA (0.62) NAMPTLMNAHTTPTBP1KLF5

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-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP claimed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO claimed