SCHEMBL4750852

SCHEMBL4750852

CCCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)cs3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
RAB9A P51151 4/20 0.60
ADORA3 P0DMS8 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 2/20 0.52
CSNK2A1 P68400 1/20 0.52
THRB P10828 1/20 0.52
GAA P10253 1/20 0.49
PTBP1 P26599 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
SCHEMBL4747038 0.86 SMN1; SMN2 (0.52) KDM4ERAB9AADORA3SMN1; SMN2LMNA
SCHEMBL4749663 0.80 MAPT (0.68) RAB9ASMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL16607129 0.77 ADORA3 (0.75) KDM4ERAB9AADORA3SMN1; SMN2LMNA
SCHEMBL4749582 0.75 KDM4E (0.72) KDM4ERAB9AADORA3SMN1; SMN2LMNA
SCHEMBL4749602 0.75 KDM4E (0.72) KDM4ERAB9AADORA3SMN1; SMN2LMNA
SCHEMBL4747384 0.75 ROCK1 (0.47) KDM4ERAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL18425097 0.75 ADORA3 (0.69) KDM4ERAB9AADORA3SMN1; SMN2LMNA
SCHEMBL4749926 0.75 KDM4E (0.74) KDM4ERAB9AADORA3SMN1; SMN2LMNA
SCHEMBL14041858 0.75 RAB9A (0.41) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4749789 0.75 KDM4E (0.71) KDM4ERAB9AADORA3SMN1; SMN2LMNA

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