SCHEMBL11375809

SCHEMBL11375809

O=C(NC(=O)c1ccc(Cn2cc(Cc3ncc[nH]3)c3ccccc32)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.59
HDAC1 Q13547 8/20 0.59
HDAC8 Q9BY41 6/20 0.59
HDAC10 Q969S8 7/20 0.51
HDAC2 Q92769 4/20 0.49
HDAC3 O15379 3/20 0.49
NCOR2 Q9Y618 3/20 0.49
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HDAC9 Q9UKV0 1/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA1 P30542 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
SCHEMBL11376219 0.92 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL11382536 0.90 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL11376099 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL11382798 0.87 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL11389248 0.87 YES1 (0.54) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL11377556 0.87 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL6755431 0.85 CYP19A1 (0.56) HDAC6HDAC1HDAC8SMN1; SMN2CYP19A1
SCHEMBL11377635 0.85 RAB9A (0.53) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL11377917 0.83 LMNA (0.47) HDAC6HDAC1HDAC8SMN1; SMN2HTT
SCHEMBL11390324 0.83 F2RL3 (0.55) HDAC6HDAC1HDAC8HDAC10HDAC2

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
US-4273782-A FOR USE IN CARDIOVASCULAR DISORDERS AND COMPLICATIONS OF DIABETES PFIZER INC. (US) 1981-06-16 US disclosed