SCHEMBL11409409

SCHEMBL11409409

N=C(N)c1ccc(CC(=O)C(=O)[O-])cc1.[Na+]

nearest known ligand 0.71

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 17)

geneUniProtsupporting neighboursconfidence
F10 known ✓ P00742 2/20 0.52
F2 P00734 6/20 0.71
PRSS1 P07477 5/20 0.71
PRSS2 P07478 4/20 0.71
PRSS3 P35030 4/20 0.71
PLG P00747 1/20 0.71
C1S P09871 1/20 0.71
LOXL2 Q9Y4K0 1/20 0.52
ITGB3 P05106 3/20 0.50
ITGA2B P08514 3/20 0.50
ST14 Q9Y5Y6 3/20 0.47
TMPRSS6 Q8IU80 2/20 0.44
PLAU P00749 2/20 0.44
LMNA P02545 1/20 0.42
MASP2 O00187 1/20 0.42
THPO P40225 1/20 0.42
TMPRSS15 P98073 1/20 0.41

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
SCHEMBL1329642 0.83 F2 (1.00) F2PRSS1PRSS2PRSS3PLG
SCHEMBL22873499 0.79 PRSS1 (0.67) F2PRSS1PRSS2PRSS3PLG
SCHEMBL6940225 0.79 ITGB3 (0.73) F2PRSS1PRSS2PRSS3PLG
SCHEMBL24263917 0.77 F2 (0.65) F2PRSS1PRSS2PRSS3PLG
SCHEMBL7310517 0.77 F2 (0.65) F2PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL8045403 0.77 ITGB3 (0.71) F2PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL11682104 0.76 PRSS1 (0.62) F2PRSS1PRSS2PRSS3PLG
SCHEMBL20012321 0.75 PRSS1 (0.61) F2PRSS1PRSS2PRSS3PLG
SCHEMBL14813070 0.72 CTBP2 (0.48) LMNA
SCHEMBL14813077 0.72 CA1 (0.50) LMNA

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-4214093-A PROTEOLYTIC ENZYME INHIBITORS TORII & CO., LTD. (JP) 1980-07-22 US disclosed