SCHEMBL8768007

SCHEMBL8768007

COC(=O)N1c2ccccc2Sc2ccc(S(=O)(=O)[O-])cc21.[Na+]

nearest known ligand 0.68

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 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.68
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL8768014 0.89 BCHE (0.69) BCHEMAPTTP53SMN1; SMN2ACHE
SCHEMBL8767439 0.88 BCHE (0.68) BCHEMAPTTP53SMN1; SMN2ACHE
SCHEMBL8768003 0.88 BCHE (0.68) BCHEMAPTTP53SMN1; SMN2ACHE
SCHEMBL8739119 0.82 BCHE (1.00) BCHEMAPTTP53SMN1; SMN2ACHE
SCHEMBL8767420 0.79 BCHE (0.75) BCHEMAPTTP53SMN1; SMN2ACHE
SCHEMBL17614079 0.74 NOX1 (0.67) BCHEMAPTACHENOX1ALOX12
SCHEMBL28498255 0.74 NOX1 (0.67) BCHEMAPTACHENOX1ALOX12
SCHEMBL15237151 0.72 BCHE (0.63) BCHEMAPTALOX12KDM4E
SCHEMBL9185325 0.72 MAPT (0.39) BCHEMAPTACHENOX1ALOX12
SCHEMBL28905465 0.71 DRD2 (0.49) BCHEMAPTACHENOX1KDM4E

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-0499126-B1 Process for the direct and regioselective functionalization in position 2 of phenothiazine ZAMBON SPA (IT) 1997-08-20 EP disclosed
US-5362871-A Process for the direct and regioselective functionalization in position 2 of phenothiazine ZAMBON GROUP S.P.A. (IT) 1994-11-08 US disclosed
EP-0499126-A2 Process for the direct and regioselective functionalization in position 2 of phenothiazine ZAMBON GROUP S.p.A. (IT) 1992-08-19 EP disclosed