SCHEMBL6301696

SCHEMBL6301696

C=CCN(c1ccccc1O)S(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
ESR1 P03372 5/20 0.61
RAB9A P51151 1/20 0.52
S1PR1 P21453 1/20 0.49
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.39
TEAD1 P28347 1/20 0.39

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
SCHEMBL3257523 0.89 C5AR1 (0.82) C5AR1ESR1RAB9AS1PR1KEAP1
SCHEMBL6301809 0.80 ESR1 (0.60) ESR1KEAP1NFE2L2KMT2A
SCHEMBL1678582 0.79 C5AR1 (0.59) C5AR1ESR1RAB9AS1PR1KEAP1
SCHEMBL6063203 0.79 ESR1 (0.79) C5AR1ESR1RAB9AS1PR1LMNA
SCHEMBL9258205 0.79 ESR1 (0.89) C5AR1ESR1RAB9AS1PR1LMNA
SCHEMBL6297127 0.78 ESR1 (0.59) ESR1LMNAALDH1A1KMT2AMAPT
SCHEMBL4262910 0.73 ESR1 (0.53) C5AR1ESR1RAB9AS1PR1LMNA
SCHEMBL1678584 0.73 ESR1 (0.65) C5AR1ESR1RAB9AS1PR1LMNA
SCHEMBL10898582 0.72 C5AR1 (0.40) C5AR1ESR1S1PR1LMNAALDH1A1
SCHEMBL28858218 0.72 C5AR1 (0.70) C5AR1ESR1RAB9AS1PR1KEAP1

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-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 US disclosed