SCHEMBL25973005

SCHEMBL25973005

COC(=O)CCc1nc(-c2ccc(Cl)cc2Cl)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
EGFR P00533 1/20 0.42
HSD11B1 P28845 1/20 0.42
DPP4 P27487 2/20 0.41
CCR9 P51686 2/20 0.40
CNR1 P21554 1/20 0.40
CYP3A4 P08684 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL25973046 0.89 KDM4E (0.44) CRHR1MAPTKDM4EALDH1A1LMNA
SCHEMBL23447255 0.85 CRHR1 (0.52) CRHR1MAPTKDM4EALDH1A1HSD11B1
SCHEMBL25972585 0.83 KDM4E (0.53) MAPTKDM4EALDH1A1LMNAEGFR
SCHEMBL24409982 0.81 MAPT (0.40) MAPTKDM4EALDH1A1LMNAEGFR
SCHEMBL23447273 0.79 CRHR1 (0.54) CRHR1HSD11B1CNR1
SCHEMBL24406716 0.79 KDM4E (0.43) MAPTKDM4EALDH1A1LMNAEGFR
SCHEMBL24407476 0.79 CRHR1 (0.48) CRHR1MAPTKDM4ELMNAHSD11B1
SCHEMBL24425230 0.78 MAPT (0.44) MAPTKDM4EEGFRCNR1CYP3A4
SCHEMBL24409990 0.76 KDM4E (0.40) MAPTKDM4EALDH1A1LMNAEGFR
SCHEMBL24406766 0.76 CCR9 (0.39) MAPTKDM4EALDH1A1LMNACCR9

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-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP disclosed