SCHEMBL8935290

SCHEMBL8935290

CC(N)C(=O)NCc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.60
PRMT6 Q96LA8 4/20 0.60
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
MAOB P27338 3/20 0.54
MAOA P21397 1/20 0.54
NR4A2 P43354 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
LTA4H P09960 1/20 0.50
LMNA P02545 1/20 0.50
SCN9A Q15858 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADAM17 P78536 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
SCHEMBL8935452 0.86 SCN9A (0.68) CARM1PRMT6TP53MAOBLTA4H
SCHEMBL966440 0.81 SCN9A (0.75) TP53GAAMAPTMAOBMAOA
SCHEMBL2187391 0.81 SCN9A (0.75) TP53GAAMAPTMAOBMAOA
SCHEMBL2186343 0.81 SCN9A (0.75) TP53GAAMAPTMAOBMAOA
SCHEMBL8935279 0.81 MAOB (0.60) TP53GAAMAPTMAOBMAOA
SCHEMBL2167250 0.80 SCN9A (0.57) TP53GAAMAPTMAOBMAOA
SCHEMBL8935332 0.80 GID4 (0.62) CARM1PRMT6MAOBMAOACYP1A2
SCHEMBL2828868 0.80 SCN9A (0.57) TP53GAAMAPTMAOBMAOA
SCHEMBL2167254 0.80 SCN9A (0.57) TP53GAAMAPTMAOBMAOA
SCHEMBL8935297 0.79 MAOB (0.59) TP53GAAMAPTMAOBMAOA

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed