SCHEMBL5698977

SCHEMBL5698977

C=C(C)C(=O)NCCCN(C)C.C=CN1CCCC1=O.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.41

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 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RAD52 P43351 1/20 0.39
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 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
SCHEMBL83920 0.88 RAD52 (0.44) RAB9ANPC1RAD52ALDH1A1MAPT
SCHEMBL4779656 0.86 DNM1 (0.32) RAB9ANPC1L3MBTL1RAD52ALDH1A1
SCHEMBL17202969 0.85 DNM1 (0.31) RAB9ANPC1L3MBTL1RAD52ALDH1A1
SCHEMBL2860170 0.84 CA12 (0.52) RAB9ACA12CA2CA9RAD52
SCHEMBL29710199 0.79 CYP2C19 (0.45) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28347130 0.78 RAD52 (0.37) RAD52ALDH1A1MAPTTSHRKDM4E
SCHEMBL18036284 0.77 CA12 (0.38) L3MBTL1CA12CA2CA9RAD52
SCHEMBL87329 0.75 RAD52 (0.41) RAD52ALDH1A1MAPTTSHRMEN1
SCHEMBL9128677 0.75 RAB9A (0.37) RAB9ANPC1RAD52ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL444004 0.74 RAB9A (0.35) RAB9ANPC1MEN1KMT2A

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-1676603-A1 Use of an association of an associative polymer and an amphiphilic dibloc copolymer for thickening of cosmetic compositions L'OREAL (FR) 2006-07-05 EP disclosed
EP-1502582-A1 Sunscreen emulsions containing gemini surfactants and associative polymers L'OREAL (FR) 2005-02-02 EP disclosed