SCHEMBL9878162

SCHEMBL9878162

CCCc1nc(Nc2ccccc2C)[nH]c(=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PDE9A O76083 2/20 0.48
GAA P10253 3/20 0.45
NAMPT P43490 1/20 0.45
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
SAE1 Q9UBE0 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
SCHEMBL9878974 0.83 MEN1 (0.51) MEN1KMT2APDE9AGAAMAPT
SCHEMBL9879258 0.82 MAPT (0.62) MEN1KMT2APDE9AGAANAMPT
SCHEMBL9879015 0.80 KMT2A (0.60) MEN1KMT2APDE9AGAAMAPT
SCHEMBL9878159 0.79 MEN1 (0.52) MEN1KMT2APDE9AGAANAMPT
SCHEMBL9879255 0.78 MEN1 (0.55) MEN1KMT2APDE9AGAANAMPT
SCHEMBL9879088 0.76 GAA (0.75) MEN1KMT2AGAANAMPTMAPT
SCHEMBL9879083 0.76 MEN1 (0.56) MEN1KMT2APDE9AGAANAMPT
SCHEMBL9776663 0.72 KMT2A (0.65) MEN1KMT2APDE9AGAAMAPT
SCHEMBL9879014 0.72 KMT2A (0.60) MEN1KMT2APDE9AGAAMAPT
SCHEMBL9879432 0.70 NPC1 (0.46) MEN1KMT2AHTTNPSR1LMNA

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-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 WO disclosed