SCHEMBL874685

SCHEMBL874685

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
PPARA Q07869 1/20 0.45
PTPN11 Q06124 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 5/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MGLL Q99685 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL874805 0.86 MAPT (0.43) RAB9APPARAALDH1A1MAPTKMT2A
SCHEMBL874282 0.83 SMN1; SMN2 (0.47) RAB9APPARAPTPN11ALDH1A1MAPT
SCHEMBL874100 0.82 RAB9A (0.64) RAB9APPARAPTPN11ALDH1A1MAPT
SCHEMBL875702 0.74 NAMPT (0.44) ALDH1A1POLBSMN1; SMN2
SCHEMBL12517440 0.69 MEN1 (0.74) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL874409 0.68 CD274 (0.55) ALDH1A1MAPTKMT2ACYP1A2TP53
SCHEMBL17374873 0.68 RAB9A (0.55) RAB9APPARAPTPN11ALDH1A1MAPT
SCHEMBL1553829 0.68 MAPT (0.56) PPARAALDH1A1MAPTMEN1KMT2A
SCHEMBL2823686 0.66 RAB9A (0.70) RAB9APPARAPTPN11ALDH1A1MAPT
SCHEMBL17978505 0.66 MGAM (0.56) RAB9AMAPTCSNK2A2CSNK2BCSNK2A1

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