SCHEMBL4786428

SCHEMBL4786428

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
MAPT P10636 8/20 0.67
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
LMNA P02545 5/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 8/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
CLK1 P49759 2/20 0.56
KDM4E B2RXH2 3/20 0.54
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 3/20 0.49
ROCK2 O75116 1/20 0.48
HTT P42858 1/20 0.47
ROCK1 Q13464 1/20 0.45

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
SCHEMBL4785744 0.86 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4746882 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4750765 0.84 KMT2A (0.56) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4750943 0.84 MAPK1 (0.63) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4746954 0.83 ABL1 (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4789362 0.83 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4789366 0.83 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4789364 0.83 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4747401 0.82 MAPT (0.67) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4746879 0.82 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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