SCHEMBL30002890

SCHEMBL30002890

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Nc1ccc(Br)c[n+]1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 6/20 0.38
▸ F2 P00734 3/20 0.33
▸ PRSS1 P07477 3/20 0.33
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NSD2 O96028 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ P2RY1 P47900 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL616980 1.00 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL29360228 0.82 RAPGEF4 (0.37) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL9103439 0.82 RAPGEF4 (0.37) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL30888383 0.81 RAPGEF4 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL27225358 0.81 RAPGEF4 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL16599611 0.81 RAPGEF4 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL28628697 0.80 RAPGEF4 (0.35) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL28658591 0.80 CYP1A2 (0.40) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL31716978 0.79 RAPGEF4 (0.39) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL30888439 0.79 RAPGEF4 (0.34) RAPGEF4F2PRSS1PRSS2PRSS3

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
WO-2022214519-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-10-13 — — WO disclosed
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