SCHEMBL8935279

SCHEMBL8935279

NCCC(=O)NCc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.60
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
NR4A2 P43354 1/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN3A Q9NY46 1/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
GID4 Q8IVV7 1/20 0.48

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
SCHEMBL8935432 0.86 SCN3A (0.66) MAOBTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL8935290 0.81 CARM1 (0.60) MAOBTP53GAAMAPTNR4A2
SCHEMBL8935322 0.79 GID4 (0.71) MAOBCYP2C19CYP1A2CYP2D6MAOA
SCHEMBL966191 0.79 SCN3A (0.73) MAOBTP53GAAMAPTNR4A2
SCHEMBL8935404 0.78 PARP10 (0.56) MAOBMAPTCYP2C19CYP1A2SMN1; SMN2
SCHEMBL8935330 0.77 EPHX2 (0.57) GAAMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL923290 0.76 MAPK8 (0.53) MAOBTP53GAAMAPTNR4A2
SCHEMBL966440 0.76 SCN9A (0.75) MAOBTP53GAAMAPTNR4A2
SCHEMBL2186343 0.76 SCN9A (0.75) MAOBTP53GAAMAPTNR4A2
SCHEMBL2187391 0.76 SCN9A (0.75) MAOBTP53GAAMAPTNR4A2

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