SCHEMBL29005174

SCHEMBL29005174

CNc1cnc(OCC(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN9A Q15858 3/20 0.34
POLB P06746 2/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
EPHX2 P34913 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2J2 P51589 1/20 0.32

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
SCHEMBL27989176 0.77 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ASCN9APOLB
SCHEMBL12301395 0.76 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ASCN9APOLB
SCHEMBL28012488 0.74 L3MBTL1 (0.51) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL25887502 0.74 SMN1; SMN2 (0.46) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL22452424 0.74 SCN9A (0.43) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL21921114 0.73 L3MBTL1 (0.38) L3MBTL1MEN1LMNAKMT2ATDP1
SCHEMBL20469353 0.73 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ASCN9APOLB
SCHEMBL28390288 0.72 L3MBTL1 (0.44) L3MBTL1MEN1LMNAKMT2ATDP1
Hydrochloric Acid SCHEMBL29072706 0.72 CYP1A2 (0.43) CYP1A2
Hydrochloric Acid SCHEMBL27932212 0.72 L3MBTL1 (0.50) L3MBTL1MEN1LMNAKMT2ATDP1

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
CN-116134018-A 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor 默沙东有限责任公司 2023-05-16 CN disclosed