SCHEMBL29617898

SCHEMBL29617898

COCOc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
KCNN4 O15554 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TTR P02766 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 2/20 0.40
DAO P14920 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL12772061 1.00 L3MBTL1 (0.58) L3MBTL1TDP1KCNN4ALDH1A1KDM4E
SCHEMBL3185351 0.84 CA12 (0.48) L3MBTL1TDP1KCNN4ALDH1A1KDM4E
SCHEMBL30741239 0.84 CA12 (0.48) L3MBTL1TDP1KCNN4ALDH1A1KDM4E
SCHEMBL30741241 0.84 CA12 (0.48) L3MBTL1TDP1KCNN4ALDH1A1KDM4E
SCHEMBL20608004 0.83 L3MBTL1 (0.42) L3MBTL1TDP1KCNN4NFE2L2
SCHEMBL29381303 0.83 L3MBTL1 (0.42) L3MBTL1TDP1KCNN4NFE2L2
SCHEMBL30417463 0.82 PTPN1 (0.41) L3MBTL1TDP1KCNN4ALDH1A1KDM4E
SCHEMBL21262585 0.82 PTPN1 (0.41) L3MBTL1TDP1KCNN4ALDH1A1KDM4E
SCHEMBL1825357 0.81 L3MBTL1 (0.67) L3MBTL1TDP1KCNN4ALDH1A1KDM4E
SCHEMBL21246882 0.80 KCNN4 (0.40) L3MBTL1TDP1KCNN4ALDH1A1MAPK1

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-2022092084-A1 FUSED HETEROCYCLE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT クミアイ化学工業株式会社 2022-05-05 WO disclosed