SCHEMBL8240258

SCHEMBL8240258

Nc1ccccc1NC(=O)c1ccc(-c2ccc(CNCC3CCCO3)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.51
HDAC2 Q92769 7/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL5314720 0.86 HDAC1 (0.63) HDAC1HDAC2KCNH2HDAC3
SCHEMBL3656182 0.81 HDAC1 (0.63) HDAC1HDAC2KCNH2HDAC3
SCHEMBL3651661 0.81 HDAC1 (0.55) HDAC1HDAC2LMNAKCNH2KMT2A
SCHEMBL2077347 0.79 HDAC1 (0.64) HDAC1KCNH2HDAC3
SCHEMBL3621805 0.73 HDAC1 (0.67) HDAC1HDAC2KCNH2
SCHEMBL5317952 0.72 HDAC1 (0.63) HDAC1HDAC2KCNH2HDAC3
SCHEMBL8236120 0.72 HDAC1 (0.48) HDAC1HDAC2KCNH2
SCHEMBL4259246 0.70 KMT2A (0.49) LMNAKMT2A
SCHEMBL4276208 0.69 KMT2A (0.63) LMNAPOLBKMT2ACYP2C9
SCHEMBL12841911 0.68 HDAC1 (0.54) HDAC1KCNH2HDAC3

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
WO-2007071961-A1 BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed