SCHEMBL9728229

SCHEMBL9728229

O=C([O-])c1cc2ccccc2c(Br)c1O.O=C([O-])c1cc2ccccc2c(Br)c1O.[Ca+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
GRIN2D known ✓ O15399 2/20 0.50
GRIN2A known ✓ Q12879 2/20 0.50
GRIN2B known ✓ Q13224 2/20 0.50
GRIN2C known ✓ Q14957 2/20 0.50
POLB P06746 2/20 0.44
GPR35 Q9HC97 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PLAU P00749 2/20 0.42
CYP2D6 P10635 1/20 0.42
CASP6 P55212 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PKLR P30613 1/20 0.39
LDHA P00338 1/20 0.39
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL569691 0.83 GRIN2D (0.69) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
SCHEMBL30943793 0.83 GRIN2D (0.69) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
SCHEMBL9728234 0.81 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
SCHEMBL9244803 0.79 GRIN2A (0.49) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
Lithium Ion SCHEMBL9245069 0.79 GRIN2A (0.49) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
Pamoic Acid SCHEMBL587128 0.79 GPR35 (0.71) POLBGPR35MEN1KMT2ACYP2D6
SCHEMBL28513748 0.78 MEN1 (0.62) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
Pamoic Acid SCHEMBL248780 0.75 GPR35 (0.71) POLBGPR35MEN1KMT2ACYP2D6
Pamoic Acid SCHEMBL11315960 0.75 GPR35 (0.71) POLBGPR35MEN1KMT2ACYP2D6
Pamoic Acid SCHEMBL1457853 0.75 GPR35 (0.71) POLBGPR35MEN1KMT2ACYP2D6

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-0273605-B1 ULTRA-FINE PARTICULATED POLYMER LATEX AND COMPOSITION CONTAINING THE SAME LION CORPORATION (JP) 1992-02-19 EP disclosed
US-4943612-A ANIONIC, CATIONIC, AND NONIONIC EMULSIFIERS LION CORPORATION (JP) 1990-07-24 US disclosed
EP-0273605-A2 Ultra-fine particulated polymer latex and composition containing the same LION CORPORATION (JP) 1988-07-06 EP disclosed