SCHEMBL4749855

SCHEMBL4749855

COc1ccc(-c2csc(NC(=O)Nc3ccc(S(=O)(=O)NCC4CCCCC4)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KCNQ1 P51787 12/20 0.53
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GCK P35557 1/20 0.49

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
SCHEMBL10814398 0.76 MEN1 (0.83) MEN1KMT2ALMNAMAPTHTT
SCHEMBL29183291 0.76 ALDH1A1 (0.64) MEN1KMT2ALMNAMAPTHTT
SCHEMBL8030757 0.75 ALDH1A1 (0.65) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL15113217 0.74 MAPT (0.74) MEN1KMT2AKCNQ1LMNAMAPT
SCHEMBL4747513 0.74 PARP1 (0.56) MEN1KMT2AKCNQ1LMNAMAPT
SCHEMBL4747519 0.74 PARP1 (0.56) MEN1KMT2AKCNQ1LMNAMAPT
SCHEMBL4747516 0.74 PARP1 (0.56) MEN1KMT2AKCNQ1LMNAMAPT
SCHEMBL4787914 0.72 ADORA3 (0.64) MEN1KMT2AKCNQ1LMNAMAPT
SCHEMBL4749660 0.72 PARP1 (0.54) MEN1KMT2AKCNQ1LMNAMAPT
SCHEMBL4749658 0.72 PARP1 (0.54) MEN1KMT2AKCNQ1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 — — WO claimed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 — — WO disclosed
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