SCHEMBL31746567

SCHEMBL31746567

C#CCCCCCCCO.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 2/20 0.38
SNCA P37840 1/20 0.37
CA2 P00918 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
G6PD P11413 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL29172710 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL11721219 0.98 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL6603272 0.87 CYP2D6 (0.44) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
1,5-Pentanediol SCHEMBL3465348 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
1,5-Pentanediol SCHEMBL28493250 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL10618328 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
1,6-Hexanediol SCHEMBL28498786 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
1,6-Hexanediol SCHEMBL28193578 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
1,4-Butanediol SCHEMBL8461121 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL4429977 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025262297-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 WO disclosed
WO-2025262295-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 WO disclosed
EP-4667467-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 EP disclosed
EP-4667466-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 EP disclosed