SCHEMBL9187486

SCHEMBL9187486

CNc1ccc(C(=O)c2ccc(CS)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ SRD5A2 P31213 1/20 0.43
▸ ALDH1A1 P00352 8/20 0.41
▸ HPGD P15428 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL14899868 0.84 IDO1 (0.52) ALDH1A1HPGDLMNAIDO1SMN1; SMN2
SCHEMBL1200737 0.84 SRD5A2 (0.48) MAPK13MAPK12MAPK11MAPK14SRD5A2
SCHEMBL52136 0.84 ALDH1A1 (0.52) MAPK13MAPK12MAPK11MAPK14SRD5A2
SCHEMBL9186881 0.82 ALDH1A1 (0.42) MAPK13MAPK12MAPK11MAPK14SRD5A2
SCHEMBL25652847 0.76 ALDH1A1 (0.70) SRD5A2ALDH1A1RAB9ALMNAHDAC1
SCHEMBL8666599 0.76 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14SRD5A2
SCHEMBL15025047 0.76 SRD5A2 (0.41) MAPK13MAPK12MAPK11MAPK14SRD5A2
SCHEMBL6659142 0.76 SRD5A2 (0.65) SRD5A2ALDH1A1TP53
SCHEMBL4541127 0.76 ALDH1A1 (0.61) MAPK13MAPK12MAPK11MAPK14SRD5A2
SCHEMBL8091787 0.75 IDO1 (0.67) SRD5A2ALDH1A1HPGDRAB9AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315140-B1 Non-linear optical device HITACHI LTD (JP) 1995-08-23 — — EP disclosed
US-5176854-A Xanthone Derivatives HITACHI, LTD. (JP) 1993-01-05 — — US disclosed
EP-0315140-A2 Non-linear optical device HITACHI, LTD. (JP) 1989-05-10 — — EP disclosed
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