SCHEMBL29005123

SCHEMBL29005123

[CH2]c1cnc(OCC(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 3/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL22518704 0.76 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL31508041 0.76 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL12301395 0.76 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL22518710 0.76 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL9092192 0.74 L3MBTL1 (0.56) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL16423350 0.73 L3MBTL1 (0.46) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL16434671 0.73 L3MBTL1 (0.42) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL20469353 0.73 L3MBTL1 (0.42) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL2718833 0.72 L3MBTL1 (0.53) L3MBTL1POLBMAPK1CYP1A2MAPT
SCHEMBL3042055 0.72 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2MAPT

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