SCHEMBL22760184

SCHEMBL22760184

CCOC(=O)c1c(N2CCCCC2)c2ccc(Cl)cc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 16/20 0.48
MAPK9 P45984 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAT2A P31153 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL22760116 0.86 ALDH1A1 (0.47) ALDH1A1GAAMAPTMAT2AHPGD
SCHEMBL22747837 0.85 ALDH1A1 (0.45) ALDH1A1GAAMAPTMAT2AHPGD
SCHEMBL22748254 0.85 MAT2A (0.46) MAPK8MAPK9MAT2A
SCHEMBL22748257 0.84 MAPT (0.48) MAPK8MAPK9ALDH1A1GAAMAPT
SCHEMBL22760109 0.82 HPGD (0.48) MAPK8ALDH1A1GAAMAPTHPGD
SCHEMBL22760115 0.80 MAPT (0.46) ALDH1A1GAAMAPTHPGD
SCHEMBL22760089 0.80 HPGD (0.44) ALDH1A1GAAMAPTHPGD
SCHEMBL22760359 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTHPGD
SCHEMBL22760172 0.78 MAPT (0.47) ALDH1A1GAAMAPTMAT2AHPGD
SCHEMBL19831035 0.78 MAPK8 (0.51) MAPK8MAPK9ALDH1A1GAAMAPT

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed