SCHEMBL314045

SCHEMBL314045

O=S(=O)(Cl)c1ccc(CCBr)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.33
SLC2A1 P11166 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NQO2 P16083 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL314367 0.83 TTR (0.43) LDHASLC2A1TDP1ALDH1A1HSD17B10
SCHEMBL1595970 0.80 LDHA (0.36) LDHATDP1ALDH1A1HSD17B10
SCHEMBL4642257 0.80 LDHA (0.36) LDHATDP1ALDH1A1HSD17B10
SCHEMBL9165551 0.79 ALDH1A1 (0.48) LDHATDP1ALDH1A1HSD17B10
SCHEMBL9475157 0.78 TDP1 (0.37) TDP1ALDH1A1HSD17B10
SCHEMBL7002514 0.74 RAD52 (0.43) SLC2A1ALDH1A1
SCHEMBL9403989 0.72 KEAP1 (0.34) GPR84
SCHEMBL2385214 0.72 RXFP1 (0.46) LDHATDP1ALDH1A1HSD17B10
SCHEMBL30987398 0.72 RXFP1 (0.46) LDHATDP1ALDH1A1HSD17B10
SCHEMBL23649646 0.71 KMT2A (0.43) SLC2A1ALDH1A1HSD17B10GPR84

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-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 US disclosed