SCHEMBL3301501

SCHEMBL3301501

C=Cc1cccc[n+]1CC.COS(=O)(=O)[O-]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.34
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
PSMD14 O00487 1/20 0.33
RAD52 P43351 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
PKM P14618 1/20 0.32
HTR1A P08908 1/20 0.31

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
Bromide SCHEMBL6464634 0.99 HDAC8 (0.40) HDAC8KDM4ERAB9AALDH1A1MAPT
Bromide SCHEMBL6464626 0.99 HDAC8 (0.40) HDAC8KDM4ERAB9AALDH1A1MAPT
Bromide SCHEMBL6464630 0.87 HDAC8 (0.40) HDAC8KDM4ERAB9AALDH1A1MAPT
Bromide SCHEMBL6464620 0.87 HDAC8 (0.40) HDAC8KDM4ERAB9AALDH1A1MAPT
SCHEMBL9144332 0.86 KDM4A (0.40) HDAC8KDM4ERAB9AALDH1A1MAPT
SCHEMBL9146632 0.84 KDM4A (0.46) HDAC8KDM4ERAB9AALDH1A1NPC1
SCHEMBL29838155 0.84 HDAC8 (0.55) HDAC8KDM4ERAB9AALDH1A1MAPT
SCHEMBL153132 0.84 HDAC8 (0.55) HDAC8KDM4ERAB9AALDH1A1MAPT
Iodide SCHEMBL10938374 0.82 KDM4E (0.54) HDAC8KDM4ERAB9AALDH1A1MAPT
Bromide SCHEMBL29396763 0.82 HDAC8 (0.53) HDAC8KDM4ERAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180100250-A1 Articles Comprising an Oil Capture Polymer THE PROCTER & GAMBLE COMPANY 2018-04-12 US claimed
US-7737237-B2 Controlled structure copolymer comprising an amphoteric or zwitterionic part PHODIA CHIMIE (FR) 2010-06-15 US claimed
US-20060217285-A1 Controlled structure copolymer comprising an amphoteric or zwitterionic part RHODIA CHIMIE (FR) 2006-09-28 US claimed
US-4857585-A CATIONIC ACRYLIC POLYMERS RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1989-08-15 US disclosed
US-4791161-A CONTAINING UNSATURATED TERTIARY NITROGEN COMPOUNDS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-12-13 US disclosed
US-4528322-A Aqueous cationic dispersions of synthetic polymers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-07-09 US disclosed
US-4525519-A POLYMERIZATION IN AQUEOUS DISPERSION OF UNSATURATED NITROGEN COMPOUND AND CATIONIC EMULSION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-06-25 US disclosed