SCHEMBL4786962

SCHEMBL4786962

COc1ccc(-c2csc(NC(=O)C=C(c3ccc4c(c3)OCCO4)C(F)(F)F)n2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.58
MAPT P10636 10/20 0.58
MEN1 O00255 10/20 0.58
SMN1; SMN2 Q16637 9/20 0.58
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
POLB P06746 3/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 11/20 0.51
NPC1 O15118 9/20 0.51
LMNA P02545 5/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.49
CLK1 P49759 2/20 0.49
GSTO1 P78417 1/20 0.49
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4786960 1.00 KMT2A (0.58) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4786953 1.00 KMT2A (0.58) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4787776 0.90 RAB9A (0.59) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4787782 0.90 RAB9A (0.59) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4788555 0.88 MAPT (0.55) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4788550 0.88 MAPT (0.55) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4788558 0.88 MAPT (0.55) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4746942 0.87 SMN1; SMN2 (0.59) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4746933 0.87 SMN1; SMN2 (0.59) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL4746937 0.87 SMN1; SMN2 (0.59) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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