SCHEMBL8458231

SCHEMBL8458231

CCC(CC(=O)O)N1c2ccccc2Nc2nccnc21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.37
AKT1 P31749 1/20 0.36
RAB9A P51151 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL6747868 0.74 ALDH1A1 (0.43) IDH1RAB9ACHRM2
SCHEMBL8464221 0.74 LMNA (0.33)
SCHEMBL6747312 0.68 ALDH1A1 (0.45) IDH1AKT1RAB9ACHRM2
SCHEMBL6749181 0.68 BRPF1 (0.41) IDH1AKT1
SCHEMBL2291989 0.66 GAA (0.49)
SCHEMBL6747353 0.65 ALDH1A1 (0.43) IDH1AKT1RAB9ACHRM2
SCHEMBL6752003 0.64 ALDH1A1 (0.41) IDH1AKT1RAB9A
SCHEMBL11685677 0.64 TNF (0.52)
SCHEMBL6750409 0.63 AKT1 (0.35) IDH1AKT1RAB9ACHRM2
SCHEMBL6749102 0.62 ALDH1A1 (0.42) IDH1AKT1RAB9A

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-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed