SCHEMBL10568239

SCHEMBL10568239

O=S(=O)(O)c1ccc2cc(Nc3ccccc3)ccc2c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3 P19429 1/20 0.66
TNNT2 P45379 1/20 0.66
TNNC1 P63316 1/20 0.66
HKDC1 Q2TB90 1/20 0.66
NSD2 O96028 2/20 0.64
CASP6 P55212 2/20 0.64
DUSP3 P51452 1/20 0.64
PTPN5 P54829 1/20 0.64
CASP7 P55210 1/20 0.64
PTPN11 Q06124 1/20 0.64
SNCA P37840 3/20 0.61
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 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
SCHEMBL15169995 0.91 TNNI3 (0.66) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL8568893 0.87 TNNI3 (0.51) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL2615798 0.83 TNNI3 (0.56) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL9219483 0.82 TNNI3 (0.65) TNNI3TNNT2TNNC1HKDC1NSD2
Ammonia Solution, Strong SCHEMBL2537343 0.81 TNNI3 (0.63) TNNI3TNNT2TNNC1HKDC1NSD2
Ammonia Solution, Strong SCHEMBL2537345 0.81 TNNI3 (0.63) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL15629450 0.80 TNNI3 (0.53) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL17176863 0.80 TNNI3 (0.53) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL5804016 0.80 ALDH1A1 (0.44) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL28790106 0.80 SNCA (0.57) TNNI3TNNT2TNNC1HKDC1NSD2

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
EP-0301350-A2 Disazo dyes BAYER AG (DE) 1989-02-01 EP disclosed
US-3933423-A Azoic dyeing of leather E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US disclosed