SCHEMBL6846086

SCHEMBL6846086

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
GPR35 Q9HC97 2/20 0.50
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
S100A4 P26447 1/20 0.44
THRB P10828 1/20 0.44
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6846085 1.00 KMT2A (0.55) KMT2AMEN1CA1CA2MMP1
Hydrochloric Acid SCHEMBL11758232 0.98 KMT2A (0.53) KMT2AMEN1CA1CA2MMP1
Hydrochloric Acid SCHEMBL11758224 0.98 KMT2A (0.53) KMT2AMEN1CA1CA2MMP1
SCHEMBL668582 0.90 GPR35 (0.56) KMT2AMEN1CA1CA2MMP1
SCHEMBL28031898 0.88 GPR35 (0.54) KMT2AMEN1CA1CA2MMP1
SCHEMBL9754556 0.84 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL63933 0.84 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL151052 0.84 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL11294575 0.83 TTR (0.47) KMT2AMEN1CA1CA2MMP1
SCHEMBL4371976 0.83 GPR35 (0.56) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767481-B2 AT LEAST ONE REDUCIBLE AND AT LEAST ONE OXIDIZABLE SUBSTANCE OX2 AND RED1, RESPECTIVELY, WHICH ARE LINKED TO ONE ANOTHER VIA A BRIDGE BAYER AKTIENGESELLSCHAFT (DE) 2004-07-27 US claimed
US-20020197486-A1 Electrochromic system with coupled RED-OX system and special anions BERNETH HORST (DE) 2002-12-26 US claimed
US-6417951-B1 ELECTROLYTIC CELLS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US claimed
US-6767481-B2 AT LEAST ONE REDUCIBLE AND AT LEAST ONE OXIDIZABLE SUBSTANCE OX2 AND RED1, RESPECTIVELY, WHICH ARE LINKED TO ONE ANOTHER VIA A BRIDGE BAYER AKTIENGESELLSCHAFT (DE) 2004-07-27 US disclosed
US-20020197486-A1 Electrochromic system with coupled RED-OX system and special anions BERNETH HORST (DE) 2002-12-26 US disclosed
US-6417951-B1 ELECTROLYTIC CELLS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed