SCHEMBL4746872

SCHEMBL4746872

COc1ccc(-c2csc(NC(=O)c3cc4cc5c(cc4s3)OCCO5)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
KDM4E B2RXH2 5/20 0.55
HTT P42858 4/20 0.55
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 8/20 0.53
NPC1 O15118 6/20 0.53
LMNA P02545 6/20 0.53
MAPK1 P28482 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RECQL P46063 1/20 0.53
TP53 P04637 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL4746840 0.83 MAPT (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14041985 0.79 ADORA3 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4788491 0.75 MAPT (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4788498 0.75 MAPT (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4788500 0.75 MAPT (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4747038 0.74 SMN1; SMN2 (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12296213 0.74 RAB9A (0.76) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14042403 0.74 L3MBTL1 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10814398 0.73 MEN1 (0.83) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10922779 0.73 GSTO1 (0.74) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 claimed