SCHEMBL6183354

SCHEMBL6183354

Cc1cc(C)nc(NC(=N)NCCC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL2801059 0.75 ALDH1A1 (0.48) KMT2AGAAMEN1SMN1; SMN2HPGD
SCHEMBL10850245 0.72 MAPT (0.47) MAPTKMT2AGAAMAPK1MEN1
SCHEMBL17975326 0.72 GAA (0.52) MAPTKMT2AGAAMAPK1MEN1
SCHEMBL5923306 0.71 ALDH1A1 (0.48) MAPTKMT2AGAAMAPK1MEN1
SCHEMBL6925014 0.71 TAAR1 (0.44) MAPTKMT2AGAAMEN1SMN1; SMN2
SCHEMBL2829448 0.71 KMT2A (0.43) MAPTKMT2ACYP1A2CASP1
SCHEMBL10853491 0.69 MAPT (0.44) MAPTKMT2AGAAMAPK1MEN1
SCHEMBL5923376 0.68 EPHX2 (0.49) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL6182511 0.68 KMT2A (0.47) MAPTKMT2AGAAMAPK1MEN1
SCHEMBL3455095 0.68 MAPT (0.55) MAPTKMT2AGAAMAPK1MEN1

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-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 — — EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 — — EP disclosed
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