SCHEMBL874904

SCHEMBL874904

O=C(O)c1sc(-c2ccc([N+](=O)[O-])cc2)nc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
PPARA Q07869 1/20 0.41
APP P05067 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PTPN11 Q06124 1/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 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
SCHEMBL6226185 0.82 CDC7 (0.53) SMN1; SMN2MEN1ALDH1A1KMT2AKDM4E
SCHEMBL874528 0.75 RAB9A (0.72) RAB9AAPPMMP2MMP9MMP8
SCHEMBL874739 0.74 RAB9A (0.71) RAB9APPARAAPPMMP2MMP9
SCHEMBL8867718 0.74 RAB9A (1.00) RAB9APPARAAPPMMP2MMP9
SCHEMBL289529 0.72 RAB9A (0.62) RAB9APPARASMN1; SMN2ALDH1A1GAA
SCHEMBL15049083 0.72 TRPM8 (0.60) RAB9ASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL15048987 0.71 TRPM8 (0.63) RAB9ASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6336462 0.70 CDC7 (0.61) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL15049133 0.70 TRPM8 (0.61) RAB9ASMN1; SMN2MEN1KMT2APTPN11
SCHEMBL37687 0.70 CA1 (0.62) RAB9ASMN1; SMN2MEN1ALDH1A1KMT2A

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-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed