SCHEMBL874100

SCHEMBL874100

CCCCc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
PTPN11 Q06124 1/20 0.49
EIF4A1 P60842 7/20 0.48
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 1/20 0.43
APP P05067 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL874685 0.82 RAB9A (0.46) RAB9APTPN11CSNK2A2CSNK2BCSNK2A1
SCHEMBL14015121 0.80 KDM4E (0.53) RAB9AEIF4A1MEN1KMT2AGAA
SCHEMBL8867718 0.78 RAB9A (1.00) RAB9ACSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL874282 0.78 SMN1; SMN2 (0.47) RAB9APTPN11MEN1KMT2AGAA
SCHEMBL874463 0.77 RAB9A (0.65) RAB9APTPN11CSNK2A2CSNK2BCSNK2A1
SCHEMBL874528 0.77 RAB9A (0.72) RAB9ACSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL874739 0.76 RAB9A (0.71) RAB9APTPN11CSNK2A2CSNK2BCSNK2A1
SCHEMBL17978505 0.73 MGAM (0.56) RAB9ACSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL11155880 0.71 EIF4A1 (0.61) RAB9AEIF4A1MEN1KMT2AGAA
SCHEMBL2823686 0.71 RAB9A (0.70) RAB9APTPN11MEN1KMT2AGAA

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
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed