SCHEMBL11715134

SCHEMBL11715134

CSc1ccc(C)cc1C(N)=S

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 7/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.34
RAD52 P43351 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL16951808 0.78 KMT2A (0.43) KMT2AMAPTGAAMEN1ALOX15
SCHEMBL14800110 0.75 ALDH1A1 (0.48) KMT2AMAPTGAAMEN1HPGD
SCHEMBL11044723 0.74 CSNK2A1 (0.55) KMT2AMAPTGAAMEN1ALOX15
SCHEMBL6506883 0.74 HTT (0.43) KMT2AMAPTGAAMEN1HSD17B10
SCHEMBL9770532 0.74 ALOX15 (0.50) MAPTGAAALOX15HSD17B10TP53
SCHEMBL8172784 0.72 KMT2A (0.42) KMT2AMAPTGAAMEN1ALOX15
SCHEMBL6843558 0.72 ALDH1A1 (0.39) MAPTGAAALOX15HSD17B10HPGD
SCHEMBL11261432 0.71 ALOX15 (0.48) KMT2AMAPTGAAMEN1ALOX15
SCHEMBL10147428 0.71 TDP1 (0.44) KMT2AGAAMEN1ALOX15HSD17B10
SCHEMBL28822007 0.71 PARP1 (0.42) KMT2AMAPTGAAMEN1HPGD

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-4008264-A Process for the preparation of aromatic thiocarboxylic acid amides HOECHST AKTIENGESELLSCHAFT (DT) 1977-02-15 US disclosed