SCHEMBL20194283

SCHEMBL20194283

N=Cc1cc(C(=O)Nc2ccccc2N)ccc1NCc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC3 O15379 3/20 0.52
NCOR2 Q9Y618 1/20 0.52
SSTR3 P32745 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL20194284 0.88 HDAC1 (0.60) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL20194294 0.80 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL20194290 0.78 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL15722540 0.76 HDAC1 (0.43) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL20194282 0.73 HDAC1 (0.43) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1689212 0.73 HDAC1 (0.64) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL20194295 0.73 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL20194281 0.70 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL210691 0.70 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2HDAC10
SCHEMBL20194287 0.70 HDAC1 (0.54) HDAC1HDAC2HDAC3NCOR2HDAC8

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-2970139-B1 HDAC INHIBITORS BIOMARIN PHARM INC (US) 2018-05-30 EP disclosed