SCHEMBL4788558

SCHEMBL4788558

COc1ccc(-c2csc(NC(=O)C=C(c3ccc4c(c3)OCCO4)C(F)(F)F)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 8/20 0.55
HTT P42858 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GSTO1 P78417 2/20 0.55
SMN1; SMN2 Q16637 9/20 0.54
KDM4E B2RXH2 5/20 0.54
POLB P06746 2/20 0.54
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
LMNA P02545 5/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
PTGS2 P35354 1/20 0.51
GAA P10253 2/20 0.50
KCNQ1 P51787 1/20 0.49
HPGD P15428 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
SCHEMBL4788550 1.00 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4788555 1.00 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4787776 0.91 RAB9A (0.59) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4787782 0.91 RAB9A (0.59) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4746942 0.90 SMN1; SMN2 (0.59) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4746933 0.90 SMN1; SMN2 (0.59) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4746937 0.90 SMN1; SMN2 (0.59) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4786962 0.88 KMT2A (0.58) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4786953 0.88 KMT2A (0.58) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4786960 0.88 KMT2A (0.58) MAPTMEN1KMT2AALDH1A1HTT

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