SCHEMBL24349140

SCHEMBL24349140

Nc1cc(OCc2ccccc2)ccc1Nc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.46
▸ NOX1 Q9Y5S8 2/20 0.46
▸ CTSV O60911 2/20 0.44
▸ CTSL P07711 2/20 0.44
▸ LTA4H P09960 4/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ MAOA P21397 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
SCHEMBL20280585 0.82 ALDH1A1 (0.48) SIRT2NOX1CTSVCTSLMEN1
SCHEMBL4652875 0.79 CYP1A2 (0.58) NOX1LTA4HMEN1CYP1A2CYP2C19
SCHEMBL21901569 0.78 KDM4E (0.45) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20285590 0.78 MAPT (0.43) NOX1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL20288318 0.75 ALDH1A1 (0.37) MEN1CYP1A2CYP2C19KMT2ASMN1; SMN2
SCHEMBL20285853 0.74 CTDSP1 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2RAB9A
SCHEMBL5444479 0.74 GAA (0.67) SIRT2CTSVCTSLLTA4HMEN1
SCHEMBL3979833 0.74 SIRT2 (0.64) SIRT2CTSVCTSLLTA4HMEN1
SCHEMBL20285756 0.73 MAPT (0.42) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20954451 0.73 CYP4F2 (0.60) CYP4F2CYP4A11SMN1; SMN2MAOBMAOA

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
EP-3555069-B1 NOVEL AZOMETHINE DIRECT DYES BEARING AT LEAST ONE CATIONIC CHARGE, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF OREAL (FR) 2022-03-30 — — EP disclosed
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