SCHEMBL4747425

SCHEMBL4747425

CCCN(CCC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc(NC(C)=O)c([N+](=O)[O-])c3)cs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
RAB9A P51151 4/20 0.43
RORC P51449 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4750765 0.81 KMT2A (0.56) RAB9ARORCMAPTMAPK1HDAC3
SCHEMBL4750943 0.81 MAPK1 (0.63) RAB9ARORCCA12CA9MAPT
SCHEMBL4746954 0.81 ABL1 (0.52) RAB9ARORCMAPTMAPK1HDAC3
SCHEMBL4747401 0.80 MAPT (0.67) RAB9AMAPTMAPK1HDAC3HDAC4
SCHEMBL4786428 0.80 RAB9A (0.67) RAB9AMAPTKDM4ETSHRMEN1
SCHEMBL4750837 0.79 MAPK1 (0.49) SLC2A1RAB9ARORCMAPTMAPK1
SCHEMBL4749875 0.79 MAPT (0.56) RAB9ARORCMAPTMAPK1USP2
SCHEMBL4750359 0.78 KMT2A (0.60) RAB9ARORCMAPTMAPK1HDAC3
SCHEMBL4746879 0.78 SMN1; SMN2 (0.46) RAB9ARORCMAPTMAPK1HDAC3
SCHEMBL4746882 0.76 SMN1; SMN2 (0.47) SLC2A1RAB9ARORCMAPTMAPK1

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