SCHEMBL9801754

SCHEMBL9801754

C=CC(=O)NC(C)(C)CCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TGM2 P21980 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31
GRK2 P25098 1/20 0.31
DNMT1 P26358 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PPP1CA P62136 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
PTPN22 Q9Y2R2 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
SCHEMBL121581 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL8472395 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL8148494 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL855675 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Methyl Alcohol SCHEMBL29184376 0.81 ALDH1A1 (0.44) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Potassium Ion SCHEMBL3658389 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL8063593 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Lithium Ion SCHEMBL6048636 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Zinc Ion SCHEMBL29206346 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL8149084 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015560-A Purification of photographic solutions bu absorption on a resin KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1991-05-14 US disclosed
EP-0201186-B1 METHOD OF TREATING PHOTOGRAPHIC WASTE SOLUTIONS AND AUTOMATIC PHOTOGRAPH PROCESSOR KONICA CORPORATION (JP) 1990-05-30 EP disclosed
EP-0201186-A1 Method of treating photographic waste solutions and automatic photograph processor KONICA CORPORATION (JP) 1986-11-12 EP disclosed
US-4480025-A Water reservoir layers in bleach-fix sheets EASTMAN KODAK COMPANY (US) 1984-10-30 US disclosed
EP-0117165-A2 Bleach-fix sheet EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-08-29 EP disclosed