SCHEMBL23892201

SCHEMBL23892201

NCc1cccc(CCl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.60
LOXL2 Q9Y4K0 4/20 0.55
ENPP2 Q13822 1/20 0.54
PRMT6 Q96LA8 1/20 0.48
NOS1 P29475 6/20 0.47
NOS2 P35228 6/20 0.47
NOS3 P29474 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
TSHR P16473 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
NCF1 P14598 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
Hydrochloric Acid SCHEMBL5105147 0.98 PNMT (0.58) PNMTLOXL2ENPP2PRMT6NOS1
SCHEMBL225197 0.87 TSHR (0.54) PNMTLOXL2ENPP2NOS1NOS2
SCHEMBL36008 0.87 LOXL2 (0.71) PNMTLOXL2ENPP2PRMT6NOS1
SCHEMBL10422276 0.87 LOXL2 (0.71) PNMTLOXL2ENPP2PRMT6NOS1
Hydrochloric Acid SCHEMBL8195914 0.84 LOXL2 (0.67) PNMTLOXL2ENPP2PRMT6NOS1
Hydrochloric Acid SCHEMBL6018896 0.84 LOXL2 (0.67) PNMTLOXL2ENPP2PRMT6NOS1
Ammonia Solution, Strong SCHEMBL6899866 0.84 LOXL2 (0.67) PNMTLOXL2ENPP2PRMT6NOS1
SCHEMBL29575625 0.84 LOXL2 (0.67) PNMTLOXL2ENPP2PRMT6NOS1
SCHEMBL7883952 0.84 LOXL2 (0.67) PNMTLOXL2ENPP2PRMT6NOS1
SCHEMBL29013565 0.84 LOXL2 (0.67) PNMTLOXL2ENPP2PRMT6NOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3496724-B1 PROTEIN KINASE REGULATORS NANJING GATOR MEDITECH COMPANY LTD (CN) 2021-10-06 EP disclosed
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed