SCHEMBL24019211

SCHEMBL24019211

NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)c(Nc4nc(Cl)nc(Nc5ccc(N)c(NC(N)=O)c5)n4)cc3S(=O)(=O)O)n2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.52
▸ USP2 O75604 2/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ HPGDS O60760 1/20 0.52
▸ ENPP3 O14638 1/20 0.50
▸ ENPP1 P22413 1/20 0.50
▸ P2RX2 Q9UBL9 2/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ P2RY12 Q9H244 4/20 0.46
▸ P2RY2 P41231 4/20 0.46
▸ P2RY4 P51582 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL10393821 0.77 CA12 (0.52) CHATUSP2APEX1HPGDSENPP3
SCHEMBL9803986 0.77 CA9 (0.49) CHATUSP2APEX1HPGDSENPP3
SCHEMBL9352406 0.77 CHAT (0.55) CHATUSP2APEX1HPGDSENPP3
SCHEMBL11567537 0.77 HPGDS (0.52) CHATUSP2APEX1HPGDSENPP3
SCHEMBL9333401 0.76 HPGDS (0.62) CHATUSP2APEX1HPGDSENPP3
SCHEMBL11201158 0.76 HPGDS (0.47) CHATUSP2APEX1HPGDSENPP3
SCHEMBL16560588 0.76 CHAT (0.53) CHATUSP2APEX1HPGDSENPP3
SCHEMBL8032296 0.75 HPGDS (0.46) CHATUSP2APEX1HPGDSENPP3
SCHEMBL8571318 0.75 CA12 (0.52) CHATUSP2APEX1HPGDSENPP3
SCHEMBL9326023 0.75 CHAT (0.59) CHATUSP2APEX1HPGDSENPP3

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-3752649-B1 PROCESS FOR THE SIMULTANEOUS TANNING AND DYEING OF COLLAGEN CONTAINING FIBROUS MATERIAL HUNTSMAN ADV MAT SWITZERLAND (CH) 2021-11-17 — — EP disclosed
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