SCHEMBL27435543

SCHEMBL27435543

C/C=C/c1ccnc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
CYP3A4 P08684 2/20 0.34
ATM Q13315 1/20 0.34
TYR P14679 1/20 0.33
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL20122653 0.80 CHRNA7 (0.31) CHRNA7
SCHEMBL7425836 0.79 FDPS (0.41) CYP3A4CHRNA7KDM4E
SCHEMBL7425838 0.79 FDPS (0.41) CYP3A4CHRNA7KDM4E
SCHEMBL7427768 0.78 TYR (0.42) TYRCHRNA7ALDH1A1TSHRKDM4E
SCHEMBL23015672 0.76 PELI1 (0.38) CYP3A4CHRNA7ALDH1A1KDM4EPTGS2
SCHEMBL9798181 0.74 UHRF1 (0.48) CNR2CYP3A4ATMTYRALDH1A1
SCHEMBL9798174 0.74 UHRF1 (0.48) CNR2CYP3A4ATMTYRALDH1A1
SCHEMBL14153950 0.74 UHRF1 (0.48) CNR2CYP3A4ATMTYRALDH1A1
SCHEMBL20282118 0.72 CNR2 (0.48) CNR2CYP3A4ATMTYRALDH1A1
SCHEMBL74760 0.72 NFE2L2 (0.47) CNR2CYP3A4ATMTYRALDH1A1

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-2024112830-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed