SCHEMBL11168780

SCHEMBL11168780

C=C(C)CNCc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.56
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ SCN8A Q9UQD0 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7050164 0.80 LOXL2 (0.61) LOXL2CACNA1GCACNA1BCYP2A6SCN8A
SCHEMBL23879203 0.79 LOXL2 (0.71) LOXL2CACNA1GCACNA1BCYP2A6SCN8A
SCHEMBL5352838 0.77 LOXL2 (0.53) LOXL2CYP2A6CYP19A1CA12CA1
SCHEMBL5346390 0.77 LOXL2 (0.53) LOXL2CACNA1GCACNA1BCYP2A6SCN8A
SCHEMBL19882179 0.77 CA12 (0.49) LOXL2CA12CA1CA2CA9
SCHEMBL6353289 0.76 LOXL2 (0.61) LOXL2CACNA1GCACNA1BCYP2A6SCN8A
SCHEMBL1037055 0.76 LOXL2 (0.67) LOXL2CACNA1GCACNA1BCYP2A6SCN8A
SCHEMBL2073087 0.76 MEN1 (0.52) CA12CA1CA2CA9MAOA
SCHEMBL29912750 0.75 LOXL2 (0.65) LOXL2CACNA1GCACNA1BCYP2A6SCN8A
SCHEMBL15826100 0.75 DPP7 (0.58) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010369-B1 CLAVULANIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-07-20 — — EP disclosed
US-4388300-A OXAPENICILLIN ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-06-14 — — US disclosed
US-4343806-A BACTERICIDES, LACTAMASE INHIBITORS BEECHAM GROUP LIMITED (GB) 1982-08-10 — — US disclosed
EP-0010369-A1 Clavulanic acid derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-04-30 — — EP disclosed
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