SCHEMBL9352406

SCHEMBL9352406

Nc1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)ccc3S(=O)(=O)O)n2)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.55
▸ USP2 O75604 2/20 0.55
▸ APEX1 P27695 2/20 0.55
▸ ENPP3 O14638 1/20 0.53
▸ ENPP1 P22413 1/20 0.53
▸ HPGDS O60760 1/20 0.50
▸ FUT8 Q9BYC5 2/20 0.46
▸ CA12 O43570 8/20 0.45
▸ CA1 P00915 8/20 0.45
▸ CA2 P00918 8/20 0.45
▸ CA9 Q16790 8/20 0.45
▸ CA14 Q9ULX7 3/20 0.45
▸ P2RX2 Q9UBL9 2/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ P2RY4 P51582 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL16560588 0.92 CHAT (0.53) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL14625453 0.86 CHAT (0.62) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL2204368 0.86 CHAT (0.49) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL14543208 0.86 CHAT (0.49) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL2205830 0.86 CHAT (0.49) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL10393821 0.86 CA12 (0.52) CHATUSP2APEX1ENPP3ENPP1
Potassium SCHEMBL2206525 0.85 CHAT (0.49) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL9326023 0.84 CHAT (0.59) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL4104068 0.84 CA12 (0.47) CHATUSP2APEX1ENPP3ENPP1
SCHEMBL7847195 0.83 FUT8 (0.51) CHATUSP2APEX1ENPP3ENPP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464448-B1 Reactive azo dyes having at least two halogenotriazine anchors BASF AG (DE) 1994-08-31 — — EP disclosed
US-5223607-A REACTIVE AZO DYES WITH AT LEST TWO REACTIVE HALOTRIAZINE GROUPS BASF AKTIENGESELLSCHAFT (DE) 1993-06-29 — — US disclosed
EP-0464448-A1 Reactive azo dyes having at least two halogenotriazine anchors BASF Aktiengesellschaft (DE) 1992-01-08 — — EP disclosed
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