SCHEMBL29850107

SCHEMBL29850107

NCC(F)(F)c1cc(Cl)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.44
LOX P28300 2/20 0.43
LOXL3 P58215 1/20 0.36
FERMT2 Q96AC1 3/20 0.33
NR4A2 P43354 2/20 0.33
SOS2 Q07890 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
DDR1 Q08345 1/20 0.31
PNMT P11086 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 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
SCHEMBL29850129 0.81 LOXL2 (0.37) LOXL2LOXNR4A2SMARCA2SMARCA4
SCHEMBL826349 0.78 LOXL2 (0.52) LOXL2LOXSMARCA2SMARCA4ALDH1A1
SCHEMBL29850020 0.77 F2 (0.39) LOXL2LOXSMARCA2SMARCA4ALDH1A1
Hydrochloric Acid SCHEMBL3745557 0.76 LOXL2 (0.53) LOXL2LOXSMARCA2SMARCA4ALDH1A1
SCHEMBL31059584 0.76 LOXL2 (0.33) LOXL2LOXSMARCA2SMARCA4ALDH1A1
SCHEMBL31543170 0.75 LOXL2 (0.36) LOXL2LOXNR4A2SOS2SMARCA2
SCHEMBL16369760 0.75 LOXL2 (0.36) LOXL2LOXNR4A2SOS2SMARCA2
SCHEMBL31059674 0.74 HSP90AA1 (0.37) LOXL2LOXALDH1A1MAPTL3MBTL1
SCHEMBL31059707 0.74 ALDH1A1 (0.34) LOXL2LOXSMARCA2SMARCA4ALDH1A1
SCHEMBL31059597 0.73 PSEN1 (0.33) LOXL2LOXMAPTL3MBTL1

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-2022173849-A1 (HETERO)ARYLAMINO-CYCLOHEXYL-SULFONYL DERIVATIVES AS CCR6 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-08-18 WO disclosed