SCHEMBL9425638

SCHEMBL9425638

COc1ccc(CN2CCN(C(=O)[C@H](CSCc3ccccc3)NC(C)=O)CC2)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ HTT P42858 1/20 0.55
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 9/20 0.50
▸ KMT2A Q03164 9/20 0.50
▸ KDM4E B2RXH2 7/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL9426122 0.91 ALDH1A1 (0.53) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9154438 0.90 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9425617 0.90 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL9425757 0.89 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9425984 0.87 ALDH1A1 (0.49) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9426121 0.87 ALDH1A1 (0.49) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9154459 0.85 ALDH1A1 (0.56) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9425893 0.80 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
SCHEMBL9160841 0.79 ALDH1A1 (0.51) ALDH1A1HTTCYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL9426072 0.78 ALDH1A1 (0.50) ALDH1A1HTTCYP2C19MEN1KMT2A

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-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 — — US disclosed
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