SCHEMBL7883952

SCHEMBL7883952

NCc1ccc(CN)cc1.NCc1cccc(CN)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.67
▸ PNMT P11086 1/20 0.64
▸ ENPP2 Q13822 1/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.58
▸ PRMT6 Q96LA8 1/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.55
▸ NOS1 P29475 5/20 0.54
▸ NOS2 P35228 5/20 0.54
▸ NOS3 P29474 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ ABAT P80404 1/20 0.52
▸ ST14 Q9Y5Y6 1/20 0.50
▸ NCF1 P14598 1/20 0.50

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
SCHEMBL10422276 0.97 LOXL2 (0.71) LOXL2PNMTENPP2HRH3PRMT6
SCHEMBL36008 0.97 LOXL2 (0.71) LOXL2PNMTENPP2HRH3PRMT6
Bromide SCHEMBL29013587 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6
SCHEMBL29013565 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6
SCHEMBL29575625 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6
Hydrochloric Acid SCHEMBL8195914 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6
Hydrochloric Acid SCHEMBL6018896 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6
Ammonia Solution, Strong SCHEMBL6899866 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6
SCHEMBL29013584 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6
Bromide SCHEMBL28362115 0.94 LOXL2 (0.67) LOXL2PNMTENPP2HRH3PRMT6

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-2001052898-A1 METHODS FOR INCORPORATING METAL CHELATORS AT CARBOXYL-TERMINAL SITE OF PEPTIDES MALLINCKRODT INC. (US) 2001-07-26 — — WO claimed
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