SCHEMBL9844699

SCHEMBL9844699

CCOc1ccc2cc3n(c2c1)C(=O)CC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CYP1A2 P05177 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 4/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 4/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL9735956 0.72 NOTUM (0.62) NOTUMLMNAKDM4EMAPTALDH1A1
SCHEMBL3825385 0.68 NQO1 (0.68) CA12CA1CYP1A2CA4CA6
SCHEMBL29629327 0.68 NQO1 (0.68) CA12CA1CYP1A2CA4CA6
SCHEMBL21335672 0.65 MAPT (0.46) LMNACA12CA1CYP1A2CA4
SCHEMBL21335573 0.65 ALDH1A1 (0.48) LMNACA12CA1CYP1A2CA4
SCHEMBL6073833 0.65 CYP11B2 (0.52) LMNACYP1A2MAPT
SCHEMBL23458226 0.64 NQO1 (0.62) CA12CA1CYP1A2CA4CA6
SCHEMBL3821099 0.64 NQO1 (0.62) CA12CA1CYP1A2CA4CA6
SCHEMBL29779700 0.64 NQO1 (0.62) CA12CA1CYP1A2CA4CA6
SCHEMBL28405864 0.64 MAPT (0.42) LMNACA12CA1CYP1A2CA4

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-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed