SCHEMBL10913626

SCHEMBL10913626

C=CC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 2/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPSE Q9Y251 4/20 0.41
PRMT1 Q99873 2/20 0.41
NSD2 O96028 2/20 0.41
ENPP3 O14638 1/20 0.41
ENTPD3 O75355 1/20 0.41
NR1I2 O75469 1/20 0.41
PRKD3 O94806 1/20 0.41
TDP2 O95551 1/20 0.41
CBX7 O95931 1/20 0.41
ESR1 P03372 1/20 0.41
PRKCG P05129 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8417845 0.85 TIMP3 (0.53) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL10945746 0.85 TIMP3 (0.47) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL10945732 0.85 TIMP3 (0.47) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL942276 0.83 CASP6 (0.51) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL9697630 0.83 NT5E (0.53) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL10787792 0.80 TIMP3 (0.48) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL8114507 0.80 TIMP3 (0.48) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL10943480 0.80 TIMP3 (0.48) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL6559700 0.79 KMT2A (0.59) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL10792013 0.79 TIMP3 (0.47) TIMP3MEN1KMT2AHSD17B10USP2

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-4564672-A Water-soluble monoazo and disazo compounds containing a fibre-reactive 2-alkoxy-5-chloro-aniline diazo component and copper complexes thereof, useful as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-14 US disclosed
US-4045428-A Water-soluble reactive naphthylazonaphthyl dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed