SCHEMBL21476996

SCHEMBL21476996

C=C(Nc1cc(-c2ccc(Cl)s2)ccc1N)N1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 20/20 0.75
HDAC1 Q13547 19/20 0.75
HDAC3 O15379 17/20 0.75

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
SCHEMBL13736541 0.86 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13735344 0.76 HDAC2 (0.67) HDAC2HDAC1HDAC3
SCHEMBL13738266 0.71 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL21476944 0.71 HDAC1 (0.55) HDAC2HDAC1HDAC3
SCHEMBL4580520 0.69 HDAC3 (0.58) HDAC2HDAC1HDAC3
SCHEMBL15624636 0.69 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL13735639 0.69 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833475 0.69 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL4579506 0.69 HDAC2 (0.57) HDAC2HDAC1HDAC3
SCHEMBL4580675 0.68 HDAC1 (0.58) HDAC2HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed