SCHEMBL7799136

SCHEMBL7799136

O=C(NO)c1cc(F)c(F)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.69
HDAC1 Q13547 10/20 0.69
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
HDAC3 O15379 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC8 Q9BY41 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
KDM4E B2RXH2 1/20 0.42
EGLN2 Q96KS0 1/20 0.42

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
SCHEMBL7981473 0.79 CES2 (0.56) HDAC6HDAC1CES2CES1HDAC2
SCHEMBL26227516 0.79 KDM4E (0.59) HDAC6HDAC1CES2CES1CA1
SCHEMBL11797156 0.79 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL25567670 0.79 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13485807 0.78 HDAC6 (0.63) HDAC6HDAC1CES2CES1HDAC3
SCHEMBL30929656 0.77 HDAC6 (0.69) HDAC6HDAC1CES2CES1HDAC3
SCHEMBL28623180 0.77 HDAC6 (0.69) HDAC6HDAC1CES2CES1HDAC3
SCHEMBL25569531 0.77 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL31048985 0.76 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL22503185 0.74 CES2 (0.45) HDAC6HDAC1CES2CES1HDAC3

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
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed