SCHEMBL24196871

SCHEMBL24196871

COc1cccc(OC)c1-c1ccc(S)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
APAF1 O14727 1/20 0.42
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
ELANE P08246 1/20 0.42
TOP1 P11387 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA14 Q9ULX7 1/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL26213974 0.81 ACHE (0.47) MAPTALDH1A1LMNAAPAF1MITF
SCHEMBL24196826 0.81 TOP1 (0.39) MAPTALDH1A1LMNAAPAF1MITF
SCHEMBL24196460 0.81 HSP90AA1 (0.40) MAPTALDH1A1LMNAAPAF1MITF
SCHEMBL5461155 0.75 ALDH1A1 (0.50) MAPTALDH1A1LMNAAPAF1MITF
SCHEMBL10370639 0.74 ACHE (0.44) MAPTALDH1A1LMNACA1CA2
SCHEMBL30269801 0.72 CA1 (0.49) ELANECA1CA2CA9CA12
SCHEMBL30270542 0.72 ELANE (0.43) MAPTALDH1A1LMNAAPAF1MITF
SCHEMBL15932982 0.72 CYP3A4 (0.41) MAPTALDH1A1LMNAHTTCA1
SCHEMBL15929645 0.71 ACHE (0.44) MAPTALDH1A1LMNAHTTPKM
SCHEMBL24196745 0.71 CA1 (0.44) MAPTALDH1A1LMNAAPAF1MITF

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-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed