SCHEMBL27596087

SCHEMBL27596087

[CH2]CCNCc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.57
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ SCN8A Q9UQD0 1/20 0.50
▸ CYP19A1 P11511 2/20 0.46
▸ CYP2A6 P11509 1/20 0.45
▸ NOS3 P29474 2/20 0.44
▸ NOS1 P29475 2/20 0.44
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL29912750 0.88 LOXL2 (0.65) LOXL2CA12CA1CA2CA4
SCHEMBL6353289 0.84 LOXL2 (0.61) LOXL2CA12CA1CA2CA4
SCHEMBL23879203 0.83 LOXL2 (0.71) LOXL2CA12CA1CA2CA4
SCHEMBL15831741 0.81 LOXL2 (0.62) LOXL2CA12CA1CA2CA4
SCHEMBL23145766 0.81 LOXL2 (0.57) LOXL2CA12CA1CA2CA4
SCHEMBL25389992 0.81 LOXL2 (0.57) LOXL2CA12CA1CA2CA4
SCHEMBL509459 0.81 LOXL2 (0.57) LOXL2CA12CA1CA2CA4
SCHEMBL9885618 0.78 SCN8A (0.55) LOXL2CA12CA1CA2CA4
SCHEMBL9885619 0.78 SCN8A (0.55) LOXL2CA12CA1CA2CA4
SCHEMBL2828109 0.78 SCN8A (0.58) LOXL2CA12CA1CA2CA4

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-1484633-A N (phenylsulphonyl) glycine derivatives and their therapentic use ʵ���Ҹ���Ү��˾ 2004-03-24 — — CN disclosed
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