SCHEMBL18634031

SCHEMBL18634031

[N-]=[N+]=NCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.53
▸ KMT2A Q03164 1/20 0.43
▸ CA2 P00918 7/20 0.41
▸ HSD11B1 P28845 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ CA9 Q16790 5/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA12 O43570 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA4 P22748 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL19426682 0.83 ALDH1A1 (0.52) KMT2ACA2HSD11B1CA9CA1
SCHEMBL27742205 0.81 PSIP1 (0.48) KMT2AHSD11B1TDP1POLB
SCHEMBL1683277 0.71 F2 (0.50) PLCG1CA2F2PRSS1PRSS2
SCHEMBL3253487 0.71 PLCG1 (1.00) PLCG1KMT2ACA2HSD11B1F2
SCHEMBL9704914 0.69 PLCG1 (0.70) PLCG1KMT2ACA2HSD11B1F2
SCHEMBL5375 0.69 PLCG1 (0.70) PLCG1KMT2ACA2CA9CA1
SCHEMBL3109600 0.67 PLCG1 (0.67) PLCG1KMT2ACA2HSD11B1F2
SCHEMBL8488156 0.67 PLCG1 (0.67) PLCG1KMT2ACA2HSD11B1F2
SCHEMBL13825881 0.67 PLCG1 (0.67) PLCG1KMT2ACA2HSD11B1F2
SCHEMBL165340 0.67 PLCG1 (0.67) PLCG1KMT2ACA2HSD11B1F2

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
EP-1985645-B1 Low molecular weight siloxanes with one functional group GELEST INC (US) 2017-03-15 — — EP disclosed
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