SCHEMBL9174709

SCHEMBL9174709

Cc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2C)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PHLPP2 Q6ZVD8 2/20 0.53
SENP2 Q9HC62 8/20 0.52
SENP1 Q9P0U3 7/20 0.52
SENP3 Q9H4L4 6/20 0.52
SUMO2 P61956 5/20 0.52
SUMO1 P63165 5/20 0.52
SENP7 Q9BQF6 5/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RPS6KA3 P51812 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL7814617 1.00 TP53 (0.56) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL9628366 0.86 SENP2 (0.52) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL8746224 0.86 RPS6KA3 (0.54) CYP3A4TSHRPHLPP2SENP2SENP1
SCHEMBL9178619 0.86 RPS6KA3 (0.54) CYP3A4TSHRPHLPP2SENP2SENP1
SCHEMBL31539232 0.85 SENP2 (0.48) TP53PHLPP2SENP2SENP1SENP3
SCHEMBL15386662 0.85 SENP2 (0.48) TP53PHLPP2SENP2SENP1SENP3
SCHEMBL28677290 0.83 SENP2 (0.61) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL29404827 0.83 SENP2 (0.61) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL28367923 0.83 SENP2 (0.61) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL15386712 0.82 SENP2 (0.58) TP53CYP3A4TSHRMAPK1PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424403-A Preparation of aminoazo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
US-3979378-A Water-soluble azo dyes having a substituted 2-hydroxypyridone (6) coupling component BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-09-07 US disclosed