SCHEMBL29912750

SCHEMBL29912750

N#Cc1ccc(CNCCNCc2ccc(C#N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.65
▸ CA12 O43570 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA4 P22748 1/20 0.58
▸ SCN8A Q9UQD0 1/20 0.55
▸ CYP2A6 P11509 2/20 0.52
▸ CYP19A1 P11511 2/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NOS3 P29474 2/20 0.49
▸ NOS1 P29475 2/20 0.49
▸ SAE1 Q9UBE0 1/20 0.47
▸ UBA2 Q9UBT2 1/20 0.47
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 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
SCHEMBL23879203 0.91 LOXL2 (0.71) LOXL2CA12CA2CA9CA1
SCHEMBL23145766 0.88 LOXL2 (0.57) LOXL2CA12CA2CA9CA1
SCHEMBL27596087 0.88 LOXL2 (0.57) LOXL2CA12CA2CA9CA1
SCHEMBL509459 0.88 LOXL2 (0.57) LOXL2CA12CA2CA9CA1
SCHEMBL25389992 0.88 LOXL2 (0.57) LOXL2CA12CA2CA9CA1
SCHEMBL15831741 0.88 LOXL2 (0.62) LOXL2CA12CA2CA9CA1
SCHEMBL2828109 0.85 SCN8A (0.58) LOXL2CA12CA2CA9CA1
SCHEMBL9885618 0.85 SCN8A (0.55) LOXL2CA12CA2CA9CA1
SCHEMBL9885619 0.85 SCN8A (0.55) LOXL2CA12CA2CA9CA1
SCHEMBL29038910 0.83 SCN8A (0.54) LOXL2CA12CA2CA9CA1

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-111943930-B Synthesis process of Lasmidinan 南京三元阳普医药科技有限公司 2022-11-01 — — CN disclosed
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