SCHEMBL11787637

SCHEMBL11787637

CC1=CC(=O)C=C(C)C1=Nc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.40
▸ DDAH1 O94760 1/20 0.39
▸ MAPT P10636 10/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ACHE P22303 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
SCHEMBL11318039 0.81 MAPT (0.43) PABPC1DDAH1MAPTKMT2AMEN1
SCHEMBL10788045 0.79 NPC1 (0.33) PABPC1DDAH1MAPTKMT2AMEN1
SCHEMBL11789695 0.79 TDP1 (0.41) PABPC1DDAH1MAPTKMT2AMEN1
SCHEMBL11312699 0.78 PABPC1 (0.66) PABPC1MAPTKMT2AMEN1TDP1
SCHEMBL11793253 0.76 ALDH1A1 (0.37) DDAH1MAPTKMT2ATDP1ALDH1A1
SCHEMBL11823825 0.75 CASP1 (0.38) DDAH1MAPTKMT2AMEN1TDP1
SCHEMBL13525236 0.73 MAPT (0.38) PABPC1MAPTKMT2AMEN1TDP1
SCHEMBL15692473 0.73 MEN1 (0.34) MAPTKMT2AMEN1TDP1RAB9A
SCHEMBL11787390 0.72 CA1 (0.37) PABPC1DDAH1MAPTKMT2AMEN1
SCHEMBL11327015 0.71 MAPT (0.40) DDAH1MAPTKMT2AMEN1TDP1

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-3989447-A Process for nonpermanently dyeing human hair with indamine indoaniline and indophenol hair dyes SOCIETE ANONYME DITE: L'OREAL (FR) 1976-11-02 — — US disclosed
US-3981678-A HAIR DYES L'OREAL (FR) 1976-09-21 — — US disclosed
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