SCHEMBL29776286

SCHEMBL29776286

Cc1ccc(Nc2cc(C)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.76

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
P2RY4 known ✓ P51582 9/20 0.76
P2RY2 known ✓ P41231 7/20 0.76
P2RY12 known ✓ Q9H244 6/20 0.75
THRB known ✓ P10828 2/20 0.64
P2RY1 known ✓ P47900 2/20 0.64
P2RY6 known ✓ Q15077 1/20 0.63
MET P08581 3/20 0.66
MEN1 O00255 2/20 0.64
NSD2 O96028 2/20 0.64
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
MAPK1 P28482 2/20 0.64
RECQL P46063 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64

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
SCHEMBL29625851 0.92 P2RY4 (0.85) P2RY4P2RY2P2RY12METMEN1
SCHEMBL29378693 0.89 P2RY4 (0.70) P2RY4P2RY2P2RY12METMEN1
SCHEMBL29350751 0.88 P2RY4 (0.67) P2RY4P2RY2P2RY12METMEN1
SCHEMBL126076 0.88 P2RY4 (0.67) P2RY4P2RY2P2RY12METMEN1
Hydrochloric Acid SCHEMBL30808003 0.87 P2RY4 (0.65) P2RY4P2RY2P2RY12METMEN1
SCHEMBL3014775 0.86 P2RY12 (1.00) P2RY4P2RY2P2RY12METP2RY1
SCHEMBL13316763 0.84 P2RY4 (0.72) P2RY4P2RY2P2RY12METMEN1
SCHEMBL29637834 0.83 P2RY4 (0.61) P2RY4P2RY2P2RY12METMEN1
SCHEMBL30106754 0.83 P2RY4 (0.61) P2RY4P2RY2P2RY12METMEN1
SCHEMBL29776345 0.82 P2RY4 (0.58) P2RY4P2RY2P2RY12METMEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149345-A1 LAUNDRY DETERGENT PRODUCT UNILEVER IP HOLDINGS B.V. (NL) 2025-07-17 WO claimed
CN-114981395-B Laundry detergent product 联合利华知识产权控股有限公司 2024-11-26 CN claimed
US-20230407208-A1 LAUNDRY DETERGENT PRODUCT CONOPCO, INC., D/B/A UNILEVER (US) 2023-12-21 US claimed
EP-4097206-B1 LAUNDRY DETERGENT PRODUCT UNILEVER IP HOLDINGS B V (NL) 2023-08-09 EP claimed
EP-4097206-A1 LAUNDRY DETERGENT PRODUCT Unilever IP Holdings B.V. (NL) 2022-12-07 EP claimed
CN-115066484-A Laundry detergent product 联合利华知识产权控股有限公司 2022-09-16 CN claimed
CN-114981395-A Laundry detergent product 联合利华知识产权控股有限公司 2022-08-30 CN claimed
WO-2025149345-A1 LAUNDRY DETERGENT PRODUCT UNILEVER IP HOLDINGS B.V. (NL) 2025-07-17 WO disclosed
CN-114981395-B Laundry detergent product 联合利华知识产权控股有限公司 2024-11-26 CN disclosed
US-20230407208-A1 LAUNDRY DETERGENT PRODUCT CONOPCO, INC., D/B/A UNILEVER (US) 2023-12-21 US disclosed
EP-4097206-B1 LAUNDRY DETERGENT PRODUCT UNILEVER IP HOLDINGS B V (NL) 2023-08-09 EP disclosed
EP-4134424-A1 LIQUID DETERGENT COMPOSITION CONTAINING DYE POLYMER Unilever IP Holdings B.V. (NL) 2023-02-15 EP disclosed
EP-4097206-A1 LAUNDRY DETERGENT PRODUCT Unilever IP Holdings B.V. (NL) 2022-12-07 EP disclosed
CN-115066484-A Laundry detergent product 联合利华知识产权控股有限公司 2022-09-16 CN disclosed
CN-114981395-A Laundry detergent product 联合利华知识产权控股有限公司 2022-08-30 CN disclosed