SCHEMBL9306417

SCHEMBL9306417

CN(C)c1ccc2nc(S)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
APP P05067 2/20 0.47
MAPT P10636 2/20 0.47
TERT O14746 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
EGFR P00533 2/20 0.41
APAF1 O14727 1/20 0.39
AURKA O14965 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
PSMB5 P28074 3/20 0.38
IP6K1 Q92551 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL9306407 0.86 APP (0.50) TCF4CTNNB1APPMAPTTERT
SCHEMBL13996322 0.80 ALDH1A1 (0.58) TCF4CTNNB1APPMAPTTERT
SCHEMBL20975977 0.79 TCF4 (0.48) TCF4CTNNB1APPMAPTTERT
SCHEMBL19132656 0.76 DDAH1 (0.54) TCF4CTNNB1APPMAPTTERT
SCHEMBL19132264 0.76 KDM4E (0.54) TCF4CTNNB1APPMAPTTERT
SCHEMBL229608 0.76 KMT2A (0.58) MAPTKDM4EPKMALDH1A1
SCHEMBL29822916 0.75 ALDH1A1 (0.37) MAPTKDM4EPKMALDH1A1
SCHEMBL28822617 0.75 ALDH1A1 (0.37) MAPTKDM4EPKMALDH1A1
Fluoride SCHEMBL31379728 0.74 KMT2A (0.56) MAPTKDM4EPKMALDH1A1
SCHEMBL8741313 0.74 KMT2A (0.56) MAPTKDM4EPKMALDH1A1

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed