SCHEMBL874783

SCHEMBL874783

CCNc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 4/20 0.47
PTPN1 P18031 1/20 0.42
APP P05067 2/20 0.42
RAB9A P51151 2/20 0.41
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
HCAR3 P49019 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 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
SCHEMBL874565 0.88 PTPN1 (0.55) MEN1KMT2AMAPTPTPN1APP
SCHEMBL7052069 0.84 IKBKB (0.55) IKBKBMEN1KMT2APTPN1APP
SCHEMBL874666 0.83 IKBKB (0.55) IKBKBMEN1KMT2AMAPTPTPN1
SCHEMBL7055593 0.80 MAPT (0.52) IKBKBMEN1KMT2AMAPTAPP
SCHEMBL9243455 0.68 MAPT (0.89) MEN1KMT2AMAPTPTPN1APP
SCHEMBL6229303 0.68 MAPT (0.67) IKBKBMEN1KMT2AMAPTAPP
SCHEMBL18837900 0.67 MAPT (0.58) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6610018 0.66 IKBKB (0.64) IKBKBMEN1KMT2AMAPTAPP
SCHEMBL875026 0.66 MAPT (0.53) IKBKBMEN1KMT2AMAPTPTPN1
SCHEMBL28895007 0.66 POLB (0.53) MEN1KMT2AMAPTRAB9AALDH1A1

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