SCHEMBL874565

SCHEMBL874565

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.47
HCAR3 P49019 1/20 0.46
PTPRF P10586 3/20 0.45
PTPRA P18433 2/20 0.45
APP P05067 2/20 0.44
POLB P06746 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 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
SCHEMBL874783 0.88 IKBKB (0.48) PTPN1MEN1KMT2AMAPTRAB9A
SCHEMBL875205 0.82 PTPN1 (0.51) PTPN1MEN1KMT2AMAPTRAB9A
SCHEMBL613433 0.79 PTPN1 (0.48) PTPN1MEN1KMT2APTPRFPTPRA
SCHEMBL875026 0.76 MAPT (0.53) PTPN1MEN1KMT2AMAPTRAB9A
SCHEMBL2157667 0.75 NPSR1 (0.63) PTPN1MEN1KMT2APTPRF
SCHEMBL2157723 0.74 NPSR1 (0.50) PTPN1MEN1KMT2A
SCHEMBL874463 0.74 RAB9A (0.65) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL2158090 0.74 MEN1 (0.50) PTPN1MEN1KMT2AMAPT
SCHEMBL7052069 0.72 IKBKB (0.55) PTPN1MEN1KMT2ARAB9AAPP
SCHEMBL9206969 0.72 MAPT (0.57) MEN1KMT2AMAPTHCAR3

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