SCHEMBL11625741

SCHEMBL11625741

CCN(CCN1CCCCC1)c1ccc(N=C2C(C)=CC(=O)C(N)=C2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 2/20 0.34
▸ ACHE P22303 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL11627931 0.90 GAA (0.39) GFERKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11626213 0.83 ALDH1A1 (0.34) GFERKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11627599 0.78 MEN1 (0.35) GFERKMT2AMEN1ALDH1A1GAA
SCHEMBL11631198 0.76 KMT2A (0.35) GFERKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11305866 0.73 PABPC1 (0.49) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2156764 0.72 ALDH1A1 (0.55) GFERKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11362202 0.71 ALDH1A1 (0.53) GFERKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11222216 0.71 ALDH1A1 (0.53) GFERKMT2AMEN1ALDH1A1KDM4E
SCHEMBL12663039 0.71 ALDH1A1 (0.55) GFERKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10788045 0.70 NPC1 (0.33) KMT2AMEN1ACHESMN1; SMN2TDP1

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
US-4093806-A HAIR DYES L'OREAL (FR) 1978-06-06 — — US disclosed
US-4046786-A HAIR DYES L'OREAL (FR) 1977-09-06 — — US disclosed
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