SCHEMBL4789362

SCHEMBL4789362

CCCN(CCC)S(=O)(=O)c1ccc(/C=C\C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.56
MAPT P10636 10/20 0.56
RAB9A P51151 10/20 0.56
KMT2A Q03164 9/20 0.56
NPC1 O15118 8/20 0.56
MEN1 O00255 8/20 0.56
LMNA P02545 7/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 6/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
KDM4E B2RXH2 6/20 0.54
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.53
CLK1 P49759 2/20 0.51
GSTO1 P78417 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL4789364 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4789366 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4788679 0.95 SMN1; SMN2 (0.54) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4788537 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4788544 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4788540 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4787855 0.85 RAB9A (0.54) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4786428 0.83 RAB9A (0.67) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4747484 0.83 PARP1 (0.58) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL4747486 0.83 PARP1 (0.58) SMN1; SMN2MAPTRAB9AKMT2ANPC1

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