SCHEMBL5716206

SCHEMBL5716206

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc2sc(-c3ccc(C=O)cc3)[n+](C)c2c1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.38

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
▸ INSR known ✓ P06213 1/20 0.34
▸ APP P05067 2/20 0.38
▸ SNCA P37840 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ PTGS2 P35354 2/20 0.34
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ THRB P10828 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL3214133 0.95 APP (0.41) APPSNCATNFNOD1MEN1
SCHEMBL3643981 0.94 APP (0.42) APPSNCATNFNOD1MEN1
SCHEMBL5067726 0.93 APP (0.40) APPSNCATNFNOD1MEN1
SCHEMBL7049507 0.86 SMN1; SMN2 (0.45) APPSNCATNFNOD1MEN1
SCHEMBL4625707 0.81 SNCA (0.50) APPSNCATNFNOD1MEN1
SCHEMBL28755569 0.77 INSR (0.44) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL3217539 0.77 — —
SCHEMBL28065596 0.73 CYP2A6 (0.57) POLBPTGS2MAPTALDH1A1SMN1; SMN2
SCHEMBL7049508 0.72 APP (0.33) APPSNCATNFNOD1MEN1
SCHEMBL7050705 0.72 ALDH1A1 (0.47) APPSNCATNFNOD1MEN1

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
EP-1682229-A1 AGENT FOR MINIMISING THE COLORATION OF THE SKIN Henkel Kommanditgesellschaft auf Aktien (DE) 2006-07-26 — — EP disclosed
WO-2005034896-A1 AGENT FOR MINIMISING THE COLORATION OF THE SKIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-04-21 — — WO disclosed
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