SCHEMBL9264812

SCHEMBL9264812

COc1ccc2cc3n(c2c1)C(=O)CC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
POLB P06746 1/20 0.44
TNFRSF1A P19438 1/20 0.42
CA2 P00918 1/20 0.42
GSTP1 P09211 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9261564 0.88 NOTUM (0.57) NOTUMHTR2AHTR2CPOLBGSTP1
SCHEMBL9844699 0.84 NOTUM (0.53) NOTUMKDM4ECA12ALDH1A1CA1
SCHEMBL9259282 0.79 NOTUM (0.62) NOTUMPOLBKDM4ECA12ALDH1A1
SCHEMBL9287309 0.78 NOTUM (0.51) NOTUMPOLBKDM4EALDH1A1HPGD
SCHEMBL2021908 0.76 NOTUM (0.55) NOTUMCA2GSTP1CA12ALDH1A1
SCHEMBL9844700 0.76 NOTUM (0.62) NOTUMHTR2AHTR2CHSD17B10CYP2A6
SCHEMBL9735956 0.76 NOTUM (0.62) NOTUMHTR2AHTR2CKDM4EALDH1A1
SCHEMBL9736291 0.75 NOTUM (0.57) NOTUMKDM4EALDH1A1CYP2A6CYP1A2
SCHEMBL9259627 0.73 NOTUM (1.00) NOTUMHTR2AHTR2CKDM4ECA12
SCHEMBL5774338 0.71 NOTUM (0.41) NOTUMPOLBGAASMN1; SMN2

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-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed