SCHEMBL11316807

SCHEMBL11316807

CNC1=CC(=Nc2ccc(N(C)C)cc2)C(C)=CC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.58
▸ ALDH1A1 P00352 10/20 0.39
▸ TSHR P16473 6/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.35
▸ MEN1 O00255 6/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ TDP1 Q9NUW8 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ POLB P06746 4/20 0.35
▸ NPSR1 Q6W5P4 4/20 0.35
▸ ALOX15 P16050 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MCL1 Q07820 3/20 0.35
▸ THRB P10828 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GAA P10253 2/20 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
SCHEMBL11330897 0.84 PABPC1 (0.53) PABPC1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL11309468 0.83 PABPC1 (0.67) PABPC1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL11321519 0.83 PABPC1 (0.52) PABPC1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL11316017 0.79 PABPC1 (0.61) PABPC1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL11787732 0.73 PTGS1 (0.38) PABPC1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL20280579 0.71 PABPC1 (0.45) PABPC1ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL260979 0.70 ALDH1A1 (0.40) PABPC1ALDH1A1TSHRMAPK1TP53
SCHEMBL11410978 0.69 PABPC1 (0.37) PABPC1MEN1KMT2ATDP1MAPT
SCHEMBL11623938 0.68 PABPC1 (0.36) PABPC1ALDH1A1MEN1KMT2ATDP1
SCHEMBL11410522 0.68 MAPT (0.44) PABPC1ALDH1A1TSHRMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4248591-A HAIR DYES L'OREAL (FR) 1981-02-03 — — US disclosed
US-4221729-A HAIR DYES L'OREAL (FR) 1980-09-09 — — US disclosed
US-3977825-A Indoanilines in keratinic fiber dye cmpositions L'OREAL (FR) 1976-08-31 — — US disclosed
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