SCHEMBL8331371

SCHEMBL8331371

CCC[CH]CCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CHRM2 P08172 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
CES1 P23141 1/20 0.50
CDC25A P30304 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL9062152 0.92 ALDH1A1 (0.56) TDP1L3MBTL1CES1CDC25A
SCHEMBL8008712 0.84 MGLL (0.62) TDP1L3MBTL1CES1CDC25A
SCHEMBL8008707 0.84 MGLL (0.62) TDP1L3MBTL1CES1CDC25A
SCHEMBL9626594 0.83 CES1 (0.68) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL10725536 0.83 CES1 (0.68) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL23731163 0.83 CES1 (0.68) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8862943 0.83 CES1 (0.68) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL10731237 0.83 CES1 (0.68) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8863074 0.83 CES1 (0.68) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL732925 0.83 CES1 (0.68) TDP1L3MBTL1CHRM2MEN1CYP1A2

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-5958903-A CHOLINESTERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-09-28 US disclosed