SCHEMBL8570528

SCHEMBL8570528

O=S(=O)(O)c1[c]ccc(-c2cc[c]cc2)c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8178372 0.87 PTPN1 (0.40) ALDH1A1
SCHEMBL2152786 0.76 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8653655 0.74 PTPRC (0.32)
SCHEMBL4745042 0.74 LMNA (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL1373270 0.74 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5502033 0.72 TSHR (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL10439981 0.72 CA12 (0.33)
SCHEMBL1374635 0.72 SNCA (0.35) HSD17B10
SCHEMBL27965475 0.72 LMNA (0.31)
SCHEMBL28057658 0.72 PARP1 (0.35) ALDH1A1HSD17B10

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
US-5762652-A COLOR MIXTURES COMPRISING A TRIAZINE DYES AND AN AZO DYES OR A BENZOTRIAZOLE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-09 US disclosed