SCHEMBL14041986

SCHEMBL14041986

COc1ccc(-c2csc(NC(=O)/C=C(\c3ccc(OCC4CCCCC4)cc3)C(F)(F)F)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 1/20 0.51
▸ LMNA P02545 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KCNQ1 P51787 9/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL4789170 0.87 RAB9A (0.54) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL4788532 0.87 RAB9A (0.54) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL4788526 0.87 RAB9A (0.54) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL4787914 0.84 ADORA3 (0.64) LMNARAB9AMAPK1ALDH1A1NPC1
SCHEMBL4788550 0.79 MAPT (0.55) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL4788558 0.79 MAPT (0.55) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL4788555 0.79 MAPT (0.55) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL4750340 0.77 KDM4E (0.53) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL4750343 0.77 KDM4E (0.53) GSTO1LMNARAB9AMAPK1ALDH1A1
SCHEMBL14042493 0.74 MAPT (0.61) LMNAMAPK1ALDH1A1HPGDKDM4E

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