SCHEMBL9871055

SCHEMBL9871055

Cc1cccc(CN2CC(=O)NC(=O)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.57
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 1/20 0.49
CARM1 Q86X55 1/20 0.48
FAAH O00519 1/20 0.48
CHRM2 P08172 2/20 0.47
CHRM3 P20309 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL21009691 0.82 MEN1 (0.65) ACHEPOLBMEN1KMT2AALDH1A1
SCHEMBL9871627 0.80 SIGMAR1 (0.60) MEN1KMT2AALDH1A1KDM4EFAAH
SCHEMBL1671165 0.79 EPHX2 (0.56) ACHEMEN1KMT2AALDH1A1CYP3A4
SCHEMBL20457589 0.78 ACHE (0.57) ACHEALDH1A1KDM4EHTTFAAH
SCHEMBL11002867 0.77 ALDH1A1 (0.55) ACHEPOLBMEN1KMT2AALDH1A1
SCHEMBL593734 0.77 SIGMAR1 (0.62) ACHEPOLBMEN1KMT2AALDH1A1
SCHEMBL29756483 0.77 SIGMAR1 (0.62) ACHEPOLBMEN1KMT2AALDH1A1
SCHEMBL9829721 0.76 MEN1 (0.54) ACHEPOLBMEN1KMT2AALDH1A1
SCHEMBL10232320 0.76 LMNA (0.48) ACHEPOLBMEN1KMT2AALDH1A1
SCHEMBL12626055 0.75 ALDH1A1 (0.57) ACHEPOLBMEN1KMT2AALDH1A1

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-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed