SCHEMBL314472

SCHEMBL314472

O=S(=O)(O)c1cccc(CCBr)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTR6 P50406 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
AKR1C3 P42330 2/20 0.37
NPC1 O15118 1/20 0.37
TNF P01375 1/20 0.37
RAB9A P51151 1/20 0.37
NOD1 Q9Y239 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
MGLL Q99685 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASR P41180 1/20 0.35
KAT6A Q92794 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
SCHEMBL22124430 0.85 ALDH1A1 (0.52) TSHRTDP1ALDH1A1HSD17B10HTR6
SCHEMBL31510169 0.83 TSHR (0.50) TSHRTDP1ALDH1A1HSD17B10HTR6
SCHEMBL27755219 0.81 HTR6 (0.45) TDP1ALDH1A1HSD17B10HTR6AKR1C3
SCHEMBL1738690 0.81 GRM2 (0.45) TDP1ALDH1A1HSD17B10HTR6SMN1; SMN2
SCHEMBL31319048 0.81 KAT6A (0.50) TSHRTDP1ALDH1A1HSD17B10HTR6
SCHEMBL10034885 0.81 HTR6 (0.67) TSHRTDP1ALDH1A1HSD17B10HTR6
SCHEMBL331257 0.81 KAT6A (0.50) TSHRTDP1ALDH1A1HSD17B10HTR6
SCHEMBL4649657 0.81 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10HTR6
SCHEMBL21726593 0.80 TSHR (0.55) TSHRTDP1ALDH1A1HSD17B10HTR6
SCHEMBL28032990 0.80 KAT6A (0.49) TSHRTDP1ALDH1A1HSD17B10HTR6

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