SCHEMBL25577239

SCHEMBL25577239

CCOC(=O)/C(C)=C/c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL30469174 1.00 MEN1 (0.43) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL3469578 0.81 AKR1C3 (0.47) TRPV4
SCHEMBL3469572 0.81 AKR1C3 (0.47) TRPV4
SCHEMBL16969110 0.80 NPSR1 (0.55) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL2279107 0.79 MAPT (0.47) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL6357160 0.78 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL6357155 0.78 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL3113880 0.77 CA12 (0.56) CYP2C9POLB
SCHEMBL3601409 0.75 MAPT (0.73) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL3601404 0.75 MAPT (0.73) MEN1KMT2AMAPTNPSR1LMNA

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-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed