SCHEMBL11274071

SCHEMBL11274071

CCN(CC)c1ccc(C)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(N(CC)CC)ccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ TSHR P16473 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PHLPP2 Q6ZVD8 1/20 0.51
▸ S100B P04271 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GRK6 P43250 1/20 0.39
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ TLR9 Q9NR96 2/20 0.39

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
SCHEMBL11274067 0.90 MAPT (0.51) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL5007900 0.84 GRK6 (0.48) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL18022811 0.83 MAPT (0.50) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL5010052 0.83 MAPT (0.68) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL29479937 0.81 ALDH1A1 (0.56) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL11520124 0.81 GRK6 (0.48) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL5667391 0.81 MAPT (0.48) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL15488872 0.81 MAPT (0.45) MAPTTSHRL3MBTL1TDP1CYP3A4
SCHEMBL5555831 0.80 S100B (0.44) MAPTTSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL5554872 0.79 ALDH1A1 (0.44) MAPTTSHRTDP1CYP3A4CYP1A2

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-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 — — US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 — — US disclosed
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