SCHEMBL9647013

SCHEMBL9647013

COS(=O)(=O)[O-].C[S+](C)c1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.49

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 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.49
MAPT P10636 7/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PARP10 Q53GL7 1/20 0.48
MEN1 O00255 4/20 0.44
RAB9A P51151 1/20 0.43
TMPRSS15 P98073 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL7902339 0.83 MAPT (0.43) KMT2AMAPTTDP1SMN1; SMN2PARP10
SCHEMBL30335696 0.82 KMT2A (0.54) KMT2AMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL30335504 0.82 KMT2A (0.54) KMT2AMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL9619082 0.82 MAPT (0.40) KMT2AMAPTALDH1A1PKMRAB9A
SCHEMBL9646952 0.81 MAPT (0.54) KMT2AMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL4635239 0.78 HTR1A (0.38) KMT2AALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL8517516 0.78 KMT2A (0.43) KMT2AMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL6839788 0.77 KMT2A (0.55) KMT2AMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL130184 0.77 PARP10 (0.57) KMT2AMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL11449253 0.77 RAB9A (0.56) KMT2AALDH1A1PKMMEN1RAB9A

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
EP-0346756-B1 PROCESS FOR PRODUCTION OF SULFONIUM COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-10-28 EP disclosed
US-5021197-A Reacting a p-dialkylsulfoniophenol with a carbonyl halogenide in the presence of a secondary amine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-04 US disclosed
EP-0346756-A1 Process for production of sulfonium compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-20 EP disclosed