SCHEMBL28664246

SCHEMBL28664246

CCC(CS(=O)(=O)[O-])NCCN.[Na+]

nearest known ligand 0.33

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33
HBB P68871 1/20 0.33
PMP22 Q01453 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCC3 O15438 1/20 0.32

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
SCHEMBL1978602 0.79 LMNA (0.39) LMNASMN1; SMN2CNR1ADRA1ATDP1
SCHEMBL28395873 0.77 GMNN (0.35) LMNASMN1; SMN2GMNNALDH1A1TP53
SCHEMBL14248905 0.75
SCHEMBL7185034 0.68 GMNN (0.33) LMNASMN1; SMN2GMNNALDH1A1TP53
SCHEMBL1741251 0.67
SCHEMBL22661304 0.67
SCHEMBL12813237 0.67 LMNA (0.41) LMNASMN1; SMN2CNR1ADRA1ATDP1
SCHEMBL28334035 0.67
SCHEMBL28124062 0.67
Hydrochloric Acid SCHEMBL10629826 0.66 ABCC3 (0.74) LMNASMN1; SMN2CNR1ADRA1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563560-A Waterborne polyurethane wet rubbing color fastness improver 江门市弘创新材料有限公司 2021-10-29 CN claimed
CN-113563560-A Waterborne polyurethane wet rubbing color fastness improver 江门市弘创新材料有限公司 2021-10-29 CN disclosed