SCHEMBL29028871

SCHEMBL29028871

Cc1ccc(S(=O)(=O)O)cc1.NC(=O)CCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.51

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
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
LTA4H P09960 1/20 0.40
HPN P05981 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
SLC1A5 Q15758 1/20 0.39

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
SCHEMBL30473461 1.00 LMNA (0.51) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL4692008 0.91 LMNA (0.60) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL2084991 0.91 LMNA (0.60) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL1517939 0.91 LMNA (0.60) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL6896823 0.88 LMNA (0.50) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL2084720 0.88 LMNA (0.50) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL1245994 0.88 LMNA (0.50) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL3082151 0.88 LMNA (0.50) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL28847759 0.86 LMNA (0.48) LMNAMAPTCYP2D6MAPK1PSEN1
SCHEMBL7274648 0.86 LMNA (0.48) LMNAMAPTCYP2D6MAPK1PSEN1

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
CN-116333294-B Catalyst for preparing block polyether and preparation method of block polyether 辽宁奥克药业股份有限公司 2023-12-29 CN claimed
CN-116333294-B Catalyst for preparing block polyether and preparation method of block polyether 辽宁奥克药业股份有限公司 2023-12-29 CN disclosed
CN-116333294-A Catalyst for preparing block polyether and preparation method of block polyether 辽宁奥克药业股份有限公司 2023-06-27 CN disclosed