SCHEMBL4054487

SCHEMBL4054487

[CH2]CCNc1ccc(F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.44
PRSS1 P07477 10/20 0.42
HDAC3 O15379 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
FERMT2 Q96AC1 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL5017658 0.81 HDAC1 (0.47) HDAC1PRSS1HDAC3HDAC2NCOR2
SCHEMBL8334585 0.79 PRSS1 (0.49) HDAC1PRSS1HDAC3ALDH1A1NCOR2
SCHEMBL7746065 0.77 NCF1 (0.44) HDAC1PRSS1HDAC3ALDH1A1
SCHEMBL12943716 0.77 PTGER4 (0.60) HDAC1PRSS1HDAC3ALDH1A1HDAC2
SCHEMBL7740540 0.77 HDAC1 (0.41) HDAC1PRSS1HDAC3HDAC2NCOR2
SCHEMBL23963004 0.77 HDAC1 (0.50) HDAC1PRSS1HDAC3ALDH1A1HDAC2
SCHEMBL30829688 0.77 ALDH1A1 (0.54) HDAC1PRSS1HDAC3ALDH1A1HDAC2
SCHEMBL4081482 0.77 ALDH1A1 (0.54) HDAC1PRSS1HDAC3ALDH1A1HDAC2
SCHEMBL29126106 0.76 HDAC1 (0.51) HDAC1PRSS1HDAC3ALDH1A1HDAC2
Hydrochloric Acid SCHEMBL15158302 0.76 PTGER4 (0.58) HDAC1PRSS1HDAC3ALDH1A1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed