SCHEMBL4747601

SCHEMBL4747601

COc1ccc(-c2csc(NC(=O)C=Cc3ccc(S(=O)(=O)Cc4ccccc4)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.65
▸ MAPT P10636 7/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ MAPK1 P28482 5/20 0.56
▸ LMNA P02545 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ GSTO1 P78417 1/20 0.54
▸ APP P05067 1/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 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
SCHEMBL4747592 1.00 PARP1 (0.65) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4747595 1.00 PARP1 (0.65) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4747404 0.96 PARP1 (0.60) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4747406 0.96 PARP1 (0.60) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4750904 0.96 PARP1 (0.60) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4747613 0.92 MAPT (0.57) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4749732 0.92 PARP1 (0.57) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4746972 0.92 PARP1 (0.57) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4747612 0.92 MAPT (0.57) PARP1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4746969 0.92 PARP1 (0.57) PARP1MAPTSMN1; SMN2MAPK1LMNA

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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