SCHEMBL11049818

SCHEMBL11049818

Cn1c(=O)cc([O-])[nH]c1=O.[Na+]

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.33
ADORA3 known ✓ P0DMS8 1/20 0.33
ADORA2A known ✓ P29274 1/20 0.33
ADORA2B known ✓ P29275 1/20 0.33
ADORA1 known ✓ P30542 1/20 0.33
YTHDF2 Q9Y5A9 1/20 0.48
LMNA P02545 5/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TP53 P04637 1/20 0.38
BRCA1 P38398 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2632820 0.73 YTHDF2 (0.52) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL12432833 0.71 YTHDF2 (0.50) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL1947779 0.71 YTHDF2 (0.50) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL220198 0.71 KMT2A (0.51) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL28144922 0.70 YTHDF2 (0.48) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL14819969 0.68 YTHDF2 (0.47) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL17052945 0.68 YTHDF2 (0.47) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL15196007 0.68 YTHDF2 (0.47) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL2632919 0.68 MEN1 (0.57) YTHDF2LMNAMEN1KMT2AGAA
SCHEMBL5164597 0.67 ALDH1A1 (0.50) YTHDF2LMNAMEN1KMT2AGAA

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-4480097-A Isoindoline colorants BASF AKTIENGESELLSCHAFT (DE) 1984-10-30 US disclosed