SCHEMBL11130293

SCHEMBL11130293

CC(O)Cc1cccc2s[nH]c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ DDAH1 O94760 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.30

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
SCHEMBL9157772 0.82 KDM4E (0.39) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL11570093 0.80 ALDH1A1 (0.42) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL6554420 0.74 HTT (0.43) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL16916950 0.72 ALDH1A1 (0.41) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL30143864 0.71 MAPT (0.45) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL11213296 0.70 ALDH1A1 (0.48) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL11287716 0.69 DAO (0.39) KDM4EDDAH1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL11283506 0.68 DAO (0.39) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL8596062 0.66 ALDH1A1 (0.48) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL2970289 0.66 MAPT (0.48) KDM4EDDAH1ALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58021671-A — — None — — JP disclosed
JP-S5821671-A PREPARATION OF ANTITHROMBOTIC AGENT KYOWA HAKKO KOGYO CO LTD 1983-02-08 — — JP disclosed
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