SCHEMBL27369982

SCHEMBL27369982

CN1C(=O)C(C[SH](C)C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
EGFR P00533 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CDC25A P30304 1/20 0.38
HSD17B10 Q99714 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 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
SCHEMBL24664741 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL16822181 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1EGFR
Hydrochloric Acid SCHEMBL16822115 0.79 MEN1 (0.47) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL8488571 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL9818249 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL24665805 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL30345054 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL8727194 0.75 CDC25A (0.63) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL7383673 0.74 CDC25A (0.48) ALDH1A1KDM4EHPGDNPSR1EGFR
SCHEMBL8998975 0.73 EGFR (0.72) ALDH1A1KDM4EHPGDNPSR1EGFR

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-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed