SCHEMBL6766183

SCHEMBL6766183

O=C(CCl)NNC(=O)c1cc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.62
HDAC1 Q13547 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC4 P56524 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
RAB9A P51151 1/20 0.57
BCL2L1 Q07817 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TMIGD3 P0DMS9 1/20 0.50
ADORA1 P30542 1/20 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
SCHEMBL1869059 0.79 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1574615 0.78 BCL2L1 (0.62) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL741039 0.78 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL38664814 0.78 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL29874896 0.77 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL999904 0.77 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5092957 0.76 RAB9A (0.72) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4703869 0.75 HDAC1 (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL761365 0.74 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL14360883 0.74 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC4HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed