SCHEMBL10651926

SCHEMBL10651926

Nc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(NS(=O)(=O)O)cc4S(=O)(=O)O)c(O)c3c2N)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ PRMT1 Q99873 1/20 0.42
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ FUT8 Q9BYC5 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10394584 0.87 CYP1A2 (0.54) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL9645831 0.85 CYP1A2 (0.58) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10393844 0.83 CYP1A2 (0.54) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10392749 0.80 ENPP2 (0.57) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL9175069 0.79 ENPP2 (0.55) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10448712 0.79 ENPP2 (0.55) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10448230 0.79 ENPP2 (0.55) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL9174220 0.79 ENPP2 (0.55) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10394548 0.78 ENPP2 (0.66) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10706610 0.78 ENPP2 (0.66) ENPP2MEN1HTTKMT2ACYP1A2

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
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 — — US disclosed
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