SCHEMBL4747427

SCHEMBL4747427

COc1ccc(-c2csc(NC(=O)/C=C\c3ccccc3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.78
MAPT P10636 6/20 0.73
LMNA P02545 5/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
MAPK1 P28482 3/20 0.73
KDM4E B2RXH2 3/20 0.73
GSTO1 P78417 1/20 0.68
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
ADORA3 P0DMS8 1/20 0.64
APP P05067 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
EGFR P00533 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL4747429 1.00 PARP1 (0.78) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4747433 1.00 PARP1 (0.78) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4749686 0.94 PARP1 (0.72) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4749683 0.94 PARP1 (0.72) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4749691 0.94 PARP1 (0.72) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4750777 0.90 PARP1 (0.67) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4750774 0.90 PARP1 (0.67) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4750778 0.90 PARP1 (0.67) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4750891 0.89 PARP1 (0.66) PARP1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4750887 0.89 PARP1 (0.66) PARP1MAPTLMNASMN1; SMN2MAPK1

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