SCHEMBL38662973

SCHEMBL38662973

COc1ncc(S(C)(=O)=O)c(C(=O)[O-])n1.[Na+]

nearest known ligand 0.34

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 1/20 0.32
▸ CA2 known ✓ P00918 1/20 0.32
▸ TLR9 known ✓ Q9NR96 2/20 0.31
▸ NAMPT P43490 1/20 0.34
▸ P4HTM Q9NXG6 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PLAU P00749 2/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ MEN1 O00255 2/20 0.30

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
SCHEMBL38662970 0.88 NPSR1 (0.41) NAMPTSMN1; SMN2NPC1TLR9ALDH1A1
SCHEMBL38665739 0.84 PLAU (0.36) NAMPTSMN1; SMN2CYP1A2LMNAPLAU
SCHEMBL38663601 0.70 PLAU (0.35) NAMPTSMN1; SMN2CYP1A2LMNAPLAU
SCHEMBL18784180 0.68 PIK3CD (0.33) SMN1; SMN2CA1CA2LMNAALDH1A1
SCHEMBL5743452 0.67 NAMPT (0.41) NAMPTCYP1A2PLAUALDH1A1HSD17B10
SCHEMBL27511610 0.67 NPSR1 (0.47) CYP1A2CA1CA2LMNAALDH1A1
SCHEMBL28480662 0.66 NAMPT (0.40) NAMPTCYP1A2PLAUALDH1A1HSD17B10
Lithium Ion SCHEMBL28621223 0.66 PLAU (0.39) NAMPTCYP1A2PLAU
Lithium Ion SCHEMBL29595061 0.66 PLAU (0.39) NAMPTCYP1A2PLAU
SCHEMBL38663560 0.66 NPSR1 (0.45) SMN1; SMN2CYP1A2PLAUALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026107425-A1 5-(PYRIDIN-4-YL)-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS CAMK2 INHIBITORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-21 — — WO disclosed
WO-2026107422-A1 6-(PYRIDIN-4-YL)-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS CAMK2 INHIBITORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-21 — — WO disclosed
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