SCHEMBL22415841

SCHEMBL22415841

CCN(CC)c1ccc(C(c2ccc(N(I)I)cc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK6 P43250 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ TSHR P16473 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH3A1 P30838 1/20 0.44
▸ ALDH1A3 P47895 1/20 0.44
▸ CNR2 P34972 10/20 0.44
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TERT O14746 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL131813 0.89 ALDH1A1 (0.56) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL9658375 0.82 GRK6 (0.54) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL109699 0.82 CNR2 (0.53) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL27776204 0.82 CNR2 (0.53) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL18708852 0.82 GRK6 (0.54) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL5007896 0.82 SLC2A1 (0.55) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL9699686 0.82 SLC2A1 (0.55) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL5011804 0.82 SLC2A1 (0.55) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL19324608 0.80 GRK6 (0.49) GRK6ALDH1A1TSHRL3MBTL1PSMD14
SCHEMBL12374444 0.80 GRK6 (0.49) GRK6ALDH1A1TSHRL3MBTL1PSMD14

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-3535373-B1 LEUCO TRIPHENYLMETHANE COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS PROCTER & GAMBLE (US) 2020-09-09 — — EP disclosed
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