SCHEMBL21976386

SCHEMBL21976386

C=C/C=C\C=C(/C)C1(O)CCN(C(=O)c2ccc(NSc3cccc4cnccc34)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 16/20 0.43
▸ FASN P49327 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL21976765 0.79 ALDH1A1 (0.53) PKLRALDH1A1LMNA
SCHEMBL21976568 0.77 PKLR (0.70) PKLR
SCHEMBL21976464 0.68 PKLR (0.67) PKLR
SCHEMBL21976621 0.66 PKLR (0.71) PKLR
SCHEMBL21976820 0.65 PKLR (0.67) PKLR
SCHEMBL20192351 0.65 PKLR (0.52) PKLRALDH1A1LMNAKDM4E
SCHEMBL21976012 0.65 PKLR (0.70) PKLR
SCHEMBL20192471 0.64 PKM (0.51) PKLRALDH1A1KDM4EMAPT
SCHEMBL21976601 0.64 PKLR (0.68) PKLR
SCHEMBL21976228 0.64 PKLR (0.68) PKLR

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-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
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