SCHEMBL8947660

SCHEMBL8947660

NCCNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.62
CASP6 P55212 4/20 0.58
NSD2 O96028 3/20 0.58
DUSP3 P51452 2/20 0.58
PTPN5 P54829 2/20 0.58
PTPN11 Q06124 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.55
NT5E P21589 3/20 0.51
CASP7 P55210 1/20 0.48
SIRT1 Q96EB6 1/20 0.46
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR6 P50406 2/20 0.38
SNCA P37840 2/20 0.38

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
SCHEMBL10580903 0.90 NT5E (0.64) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10648651 0.87 PRMT1 (0.63) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL14645645 0.86 PRMT1 (0.62) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10584051 0.84 SNCA (0.54) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL14645371 0.84 PRMT1 (0.63) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL11212315 0.84 PRMT1 (0.59) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL9338716 0.84 PRMT1 (0.59) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL1373255 0.83 PRMT1 (0.65) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL7625817 0.83 PRMT1 (0.65) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10585258 0.82 SNCA (0.49) PRMT1CASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512663-A Disazo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
US-4841030-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed