SCHEMBL4750359

SCHEMBL4750359

CCCN(CCC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3cccnc3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
RAB9A P51151 3/20 0.57
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MAPT P10636 5/20 0.53
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 4/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL4750943 0.91 MAPK1 (0.63) KMT2AMEN1RAB9AHDAC3HDAC4
SCHEMBL4746954 0.87 ABL1 (0.52) KMT2AMEN1RAB9AHDAC3HDAC4
SCHEMBL4750765 0.86 KMT2A (0.56) KMT2AMEN1RAB9AHDAC3HDAC4
SCHEMBL4749875 0.85 MAPT (0.56) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL4747401 0.84 MAPT (0.67) KMT2AMEN1RAB9AHDAC3HDAC4
SCHEMBL4750837 0.83 MAPK1 (0.49) KMT2AMEN1RAB9AHDAC3HDAC4
SCHEMBL4786428 0.81 RAB9A (0.67) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL4749915 0.80 MEN1 (0.48) KMT2AMEN1RAB9AHDAC3HDAC4
SCHEMBL4746879 0.79 SMN1; SMN2 (0.46) KMT2AMEN1RAB9AHDAC3HDAC4
SCHEMBL4746882 0.79 SMN1; SMN2 (0.47) KMT2AMEN1RAB9AHDAC3HDAC4

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