SCHEMBL9876846

SCHEMBL9876846

NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ ALDH1A1 P00352 8/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ TP53 P04637 1/20 0.67
▸ LMNA P02545 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ POLB P06746 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ C5AR1 P21730 1/20 0.48
▸ CFTR P13569 1/20 0.48

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
SCHEMBL12301081 0.91 KMT2A (0.70) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL26454870 0.85 ALDH1A1 (0.89) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL26454875 0.84 ALDH1A1 (0.75) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL2320640 0.83 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL2318728 0.83 KMT2A (0.62) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL7638824 0.83 MEN1 (1.00) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL6606481 0.80 KMT2A (0.76) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL31666083 0.79 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL26098455 0.79 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPK1TP53
SCHEMBL6609886 0.78 MEN1 (0.73) KMT2AMEN1ALDH1A1MAPK1TP53

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
US-4985430-A ALZHEIMER*S DISEASE MITSUBISHI KASEI CORPORATION (JP) 1991-01-15 — — US disclosed
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