SCHEMBL11250832

SCHEMBL11250832

N#Cc1c2sc(N)nc2c(Cl)c2nc(N)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 4/20 0.33
MYC P01106 2/20 0.32
WDR5 P61964 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9722810 0.74 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAPDE10AMAPT
SCHEMBL11267618 0.71 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAPDE10AHPGD
SCHEMBL9479129 0.68
SCHEMBL11181223 0.66 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAPDE10AHTT
SCHEMBL27623466 0.65 MEN1 (0.50) SMN1; SMN2ALDH1A1MAPTMAPK1MEN1
SCHEMBL11020657 0.64
SCHEMBL6664363 0.63 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1LMNAPDE10AMAPT
Hydrochloric Acid SCHEMBL11017206 0.63 MYC (0.33) SMN1; SMN2ALDH1A1MYCWDR5GAA
SCHEMBL5000572 0.62 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1LMNAPDE10ACYP3A4
SCHEMBL28657820 0.60 MEN1 (0.50) SMN1; SMN2ALDH1A1MAPTMAPK1MEN1

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 US disclosed