SCHEMBL9704364

SCHEMBL9704364

COc1cccc(CN2CCC[N]C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.54
SIGMAR1 Q99720 2/20 0.51
PKM P14618 2/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 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
SCHEMBL5545709 0.92 CMA1 (0.56) CMA1SIGMAR1PKMKMT2AMEN1
SCHEMBL9705989 0.83 GAA (0.52) CMA1SIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL9705894 0.80 BCL2L1 (0.39) SIGMAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL8799862 0.78 KMT2A (0.60) CMA1SIGMAR1PKMKMT2AMEN1
SCHEMBL5982177 0.78 L3MBTL1 (0.54) CMA1SIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL5537205 0.77 ROCK2 (0.42) CMA1PKMKMT2AMEN1GAA
SCHEMBL26357193 0.77 KMT2A (0.58) CMA1SIGMAR1PKMKMT2AMEN1
SCHEMBL3120489 0.76 CMA1 (0.54) CMA1SIGMAR1PKMKMT2AMEN1
SCHEMBL4004474 0.75 MEN1 (0.67) CMA1SIGMAR1PKMKMT2AMEN1
SCHEMBL30527306 0.75 MEN1 (0.67) CMA1SIGMAR1PKMKMT2AMEN1

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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed