SCHEMBL22186194

SCHEMBL22186194

C=C/C(=C\C(S)=C/C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.38
▸ ERCC5 P28715 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ DHODH Q02127 2/20 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
SCHEMBL25777990 0.76 KMO (0.45) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL26536722 0.74 KMO (0.35) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL22186207 0.73 — —
SCHEMBL23750310 0.73 KMO (0.49) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL19651317 0.72 KMO (0.41) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL22248190 0.72 L3MBTL1 (0.43) KMOPRSS1PRSS2PRSS3MAPT
SCHEMBL25467893 0.71 KMO (0.42) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL21207823 0.71 PRSS1 (0.45) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL22137862 0.70 KMO (0.48) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL19296844 0.69 KMO (0.52) KMOPRSS1PRSS2PRSS3HDAC8

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
EP-3674290-A2 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-07-01 — — EP disclosed
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