SCHEMBL11230352

SCHEMBL11230352

O=S(=O)(O)c1cc(O)c2c(Nc3nc(Br)nc(Br)n3)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.49
NT5E P21589 3/20 0.48
PRMT1 Q99873 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FUT8 Q9BYC5 1/20 0.39
PTPN1 P18031 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
NSD2 O96028 3/20 0.36
DUSP3 P51452 2/20 0.36
PTPN5 P54829 2/20 0.36
CASP6 P55212 2/20 0.36
PTPN11 Q06124 2/20 0.36
CASP7 P55210 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5702813 0.83 FUT8 (0.50) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL11224616 0.83 APEX1 (0.49) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL30528721 0.83 FUT8 (0.50) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL9233802 0.83 FUT8 (0.53) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL10713192 0.81 APEX1 (0.49) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL9283897 0.80 APEX1 (0.46) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL19004055 0.78 APEX1 (0.44) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL16560637 0.76 APEX1 (0.46) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL10174724 0.76 APEX1 (0.43) APEX1NT5EPRMT1CYP2C9ALDH1A1
SCHEMBL16560636 0.76 FUT8 (0.54) APEX1NT5EPRMT1CYP2C9ALDH1A1

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-4361698-A Process for the manufacture of dihalogenotriazinylamino-naphthol compounds HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-30 US disclosed
EP-0036133-A2 Process for the preparation of dihalotriazinyl-amino-naphthol compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-23 EP disclosed