SCHEMBL4750055

SCHEMBL4750055

CCCSc1ccc(/C=C(/C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
RAB9A P51151 3/20 0.56
GSTO1 P78417 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
CRHBP P24387 1/20 0.47
RECQL P46063 1/20 0.47
CRHR2 Q13324 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL4750060 1.00 SMN1; SMN2 (0.56) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4750058 1.00 SMN1; SMN2 (0.56) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4747368 0.84 PARP1 (0.59) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4747366 0.84 PARP1 (0.59) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4747498 0.83 LMNA (0.55) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4747496 0.83 LMNA (0.55) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4747503 0.83 LMNA (0.55) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4750362 0.81 LMNA (0.52) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4750368 0.81 LMNA (0.52) SMN1; SMN2LMNARAB9AGSTO1MEN1
SCHEMBL4750364 0.81 LMNA (0.52) SMN1; SMN2LMNARAB9AGSTO1MEN1

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