SCHEMBL27138913

SCHEMBL27138913

COc1ccc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4ccc(OC)cc4OC)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)c(OC)c1.[Na+].[Na+]

nearest known ligand 0.72

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
▸ CA1 known ✓ P00915 2/20 0.49
▸ CA2 known ✓ P00918 2/20 0.49
▸ CA12 known ✓ O43570 1/20 0.47
▸ RAD51 Q06609 3/20 0.72
▸ NPC1 O15118 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CA9 Q16790 2/20 0.49
▸ CA7 P43166 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL17565762 0.89 NPC1 (0.59) RAD51NPC1KMT2ARAB9AMEN1
SCHEMBL15294489 0.89 NPC1 (0.59) RAD51NPC1KMT2ARAB9AMEN1
SCHEMBL26978253 0.88 NPC1 (0.58) RAD51NPC1KMT2ARAB9AMEN1
SCHEMBL31389369 0.84 RAD51 (1.00) RAD51NPC1KMT2ARAB9AMEN1
SCHEMBL16149341 0.77 NPC1 (0.74) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL31389366 0.74 RAD51 (0.73) RAD51NPC1KMT2ARAB9AMEN1
SCHEMBL16148074 0.73 NPC1 (0.69) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL31389389 0.73 RAD51 (0.72) RAD51NPC1KMT2ARAB9AMEN1
SCHEMBL10789756 0.72 ALDH1A1 (0.47) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL30786728 0.72 KMT2A (0.75) NPC1KMT2ARAB9AMEN1ALDH1A1

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-20240002603-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION WITH DARK PART CURABILITY TOAGOSEI CO., LTD. (JP) 2024-01-04 — — US disclosed
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