SCHEMBL11225869

SCHEMBL11225869

Cc1csc(NC(=O)C(=O)[O-])n1.[Na+]

nearest known ligand 0.64

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 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
RAB9A P51151 13/20 0.54
NPC1 O15118 11/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RCE1 Q9Y256 1/20 0.50

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
SCHEMBL11225467 0.86 MAPT (0.62) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1691061 0.80 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL10816647 0.80 RAB9A (0.71) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL19994395 0.78 MAPT (0.66) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL48394 0.78 MAPT (0.66) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2631600 0.77 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL5630056 0.77 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3699546 0.77 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL23647333 0.76 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL11217720 0.76 ALDH1A1 (0.61) MAPTRAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed