SCHEMBL10405697

SCHEMBL10405697

CCOC(=O)c1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[nH]1.[Na+]

nearest known ligand 0.53

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
CA12 known ✓ O43570 1/20 0.39
CA1 known ✓ P00915 1/20 0.39
CA2 known ✓ P00918 1/20 0.39
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
ALKBH5 Q6P6C2 11/20 0.45
TDP1 Q9NUW8 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9324636 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10405696 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL5527198 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10755227 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL11426196 0.82 KDM4E (0.71) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2229684 0.82 MAPT (0.62) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL9196875 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL11643203 0.81 KDM4E (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL692998 0.80 ALKBH5 (0.64) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8990119 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1

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-4904578-A Light absorbing dye for photography MITSUBISHI PAPER MILLS, LTD. (JP) 1990-02-27 US disclosed