SCHEMBL8579017

SCHEMBL8579017

CN(C(=O)C(Cc1ccc(I)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCN(C(=N)N)C1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.63

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 7)

geneUniProtsupporting neighboursconfidence
F10 known ✓ P00742 1/20 0.58
F2 P00734 15/20 0.63
PLG P00747 1/20 0.58
PLAT P00750 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58

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
SCHEMBL8574446 0.91 F2 (0.65) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8576488 0.90 F2 (0.66) F2F10PLGPLATPRSS1
SCHEMBL7381434 0.85 F2 (0.81) F2
Hydrochloric Acid SCHEMBL8578705 0.84 F2 (0.63) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8576456 0.82 F2 (0.62) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8574574 0.80 F2 (0.58) F2F10PLGPLATPRSS1
SCHEMBL8578832 0.80 F2 (0.48) F2
SCHEMBL8580114 0.79 F2 (0.56) F2F10PLGPLATPRSS1
Acetic Acid SCHEMBL8581063 0.78 F2 (0.50) F2F10PLGPLATPRSS1
SCHEMBL7308912 0.78 F2 (0.56) F2F10PLGPLATPRSS1

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-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed