SCHEMBL13977907

SCHEMBL13977907

O=C(Nc1ccc(S)cn1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
RAD51 Q06609 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PORCN Q9H237 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL59952 0.82 RAB9A (0.66) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL29489449 0.82 RAB9A (0.66) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL14355062 0.82 CCNE1 (0.46) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL59145 0.82 KMT2A (0.49) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL32671808 0.82 KMT2A (0.49) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL29739273 0.82 MEN1 (0.51) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5788823 0.82 RAB9A (0.58) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL16172589 0.82 MAPT (0.57) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL20644592 0.82 CCNE1 (0.46) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL29935156 0.79 RAD51 (0.52) CCNE1CDK2CDK5ALDH1A1MAPT

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-2012158844-A1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO., LTD. (JP) 2012-11-22 WO disclosed