SCHEMBL8823161

SCHEMBL8823161

N=Nc1c(S(=O)(=O)O)cc2ccc(Nc3ncncn3)cc2c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ NSD2 O96028 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ ENPP2 Q13822 8/20 0.35
▸ FUT8 Q9BYC5 1/20 0.35
▸ TNNI3 P19429 1/20 0.34
▸ TNNT2 P45379 1/20 0.34
▸ TNNC1 P63316 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ PRMT1 Q99873 2/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ CA2 P00918 1/20 0.33

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
SCHEMBL20682072 0.70 MPL (0.49) PHLPP2ENPP2PRMT1PRMT3EP300
SCHEMBL10578657 0.70 CTDSP1 (0.42) NSD2CASP6TNNI3TNNT2TNNC1
SCHEMBL10582285 0.70 CTDSP1 (0.54) NSD2CASP6ENPP2TNNI3TNNT2
SCHEMBL14578577 0.70 PRMT1 (0.42) PHLPP2ENPP2FUT8TNNI3TNNT2
SCHEMBL89605 0.69 ENPP2 (0.50) CASP6ENPP2TNNI3TNNT2TNNC1
SCHEMBL3890978 0.69 ENPP2 (0.50) CASP6ENPP2TNNI3TNNT2TNNC1
SCHEMBL11579634 0.69 CTRB1 (0.39) TNNI3TNNT2TNNC1HKDC1
SCHEMBL4078302 0.66 CASP6 (0.49) PHLPP2NSD2DUSP3PTPN5CASP6
SCHEMBL4665298 0.66 ENPP2 (0.47) PHLPP2ENPP2FUT8PRMT1CD40
SCHEMBL7684666 0.66 SNCA (0.42) CA2NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764694-A1 Reactive dyes, their preparation and use thereof Ciba SC Holding AG (CH) 1997-03-26 — — EP disclosed
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