SCHEMBL874282

SCHEMBL874282

CCCCc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PPARA Q07869 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTPN11 Q06124 1/20 0.40
AGER Q15109 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
SCHEMBL874685 0.83 RAB9A (0.46) SMN1; SMN2RAB9ALMNAMEN1KMT2A
SCHEMBL874409 0.79 CD274 (0.55) HTTLMNAKMT2AMAPTCYP3A4
SCHEMBL874100 0.78 RAB9A (0.64) SMN1; SMN2RAB9ALMNAMEN1KMT2A
SCHEMBL873629 0.77 NAMPT (0.42)
SCHEMBL874795 0.77 NAMPT (0.47)
SCHEMBL873644 0.70 ALDH1A1 (0.61) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL3405006 0.70 CHRM4 (0.49) SMN1; SMN2NPC1MAPTCYP2C9ALDH1A1
SCHEMBL3406028 0.70 GLA (0.50) NPC1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL874805 0.70 MAPT (0.43) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL3398904 0.70 POLB (0.60) NPC1LMNAMAPTCYP3A4CYP2C9

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