SCHEMBL20114736

SCHEMBL20114736

N=C(/N=N\NCC(=O)O)c1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.44
▸ F2 P00734 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 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
SCHEMBL20194130 0.72 F2 (0.45) PBRM1F2PLGPRSS1PRSS2
SCHEMBL4910550 0.71 KDM4E (0.64) PBRM1ALDH1A1KDM4EHDAC1MAPT
SCHEMBL1538494 0.69 PBRM1 (0.58) PBRM1F2PLGPRSS1PRSS2
SCHEMBL16016157 0.68 F2 (0.59) PBRM1F2PLGPRSS1PRSS2
SCHEMBL28359889 0.66 PBRM1 (0.59) PBRM1F2PLGPRSS1PRSS2
3-Aminobenzoic Acid SCHEMBL8003706 0.66 PBRM1 (0.69) PBRM1F2PLGPRSS1PRSS2
3-Aminobenzoic Acid SCHEMBL27648 0.66 PBRM1 (0.69) PBRM1F2PLGPRSS1PRSS2
3-Aminobenzoic Acid SCHEMBL29367812 0.66 PBRM1 (0.69) PBRM1F2PLGPRSS1PRSS2
SCHEMBL8298056 0.65 KDM4E (0.53) PBRM1F2PLGPRSS1PRSS2
SCHEMBL294944 0.65 KDM4E (0.66) PBRM1F2PLGPRSS1PRSS2

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-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 — — EP disclosed
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