SCHEMBL9704914

SCHEMBL9704914

[NH]CS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.70
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.46
MMP2 P08253 3/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42

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
SCHEMBL3253487 0.82 PLCG1 (1.00) PLCG1CA2CA12MMP2CA9
SCHEMBL5375 0.80 PLCG1 (0.70) PLCG1CA2CA12MMP2CA9
SCHEMBL17118225 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9
SCHEMBL758698 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9
SCHEMBL15787868 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9
SCHEMBL8488156 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9
SCHEMBL165340 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9
SCHEMBL13825881 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9
SCHEMBL3109600 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9
SCHEMBL8901619 0.78 PLCG1 (0.67) PLCG1CA2CA12MMP2CA9

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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed