SCHEMBL28208656

SCHEMBL28208656

NCc1cccc(CCc2cccc(CN)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.60
PNMT P11086 1/20 0.58
ENPP2 Q13822 1/20 0.58
PRMT6 Q96LA8 1/20 0.52
NOS1 P29475 3/20 0.50
NOS2 P35228 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NOS3 P29474 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
TAAR1 Q96RJ0 5/20 0.48
CYP19A1 P11511 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
NCF1 P14598 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL27969138 0.95 CYP19A1 (0.56) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL920626 0.93 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL36008 0.91 LOXL2 (0.71) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL10422276 0.91 LOXL2 (0.71) LOXL2PNMTENPP2PRMT6NOS1
Hydrochloric Acid SCHEMBL1237382 0.91 LOXL2 (0.64) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL2642524 0.90 TAAR1 (0.61) LOXL2PNMTENPP2PRMT6NOS1
Hydrochloric Acid SCHEMBL6018896 0.88 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Ammonia Solution, Strong SCHEMBL6899866 0.88 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Hydrochloric Acid SCHEMBL8195914 0.88 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Bromide SCHEMBL28362115 0.88 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1

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-107827693-A The method of graphene-supported palladium/platinum catalysis sp3C H keys coupling 1,2 diphenyl ethane derivatives of synthesis 湖南大学 2018-03-23 CN disclosed