SCHEMBL4746879

SCHEMBL4746879

CCCN(CCC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4750453 0.88 KDM4E (0.55) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4785744 0.87 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4746882 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14041926 0.84 KDM4E (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4750765 0.82 KMT2A (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4786428 0.82 RAB9A (0.67) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4750943 0.82 MAPK1 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4786387 0.82 LMNA (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4746954 0.81 ABL1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4788490 0.81 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MEN1KMT2ACYP3A4

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