SCHEMBL10861692

SCHEMBL10861692

CC(C)C[C@@H](N)C(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HRH1 P35367 1/20 0.48
▸ SLC6A15 Q9H2J7 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ LIPE Q05469 1/20 0.45
▸ SLC6A7 Q99884 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL10861683 1.00 MEN1 (0.50) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL10858817 0.85 ALDH1A1 (0.62) KMT2AHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL10858811 0.85 ALDH1A1 (0.62) KMT2AHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL5888121 0.82 HSD17B10 (0.56) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL1911514 0.82 LMNA (0.56) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL2545875 0.80 MAPK1 (0.47) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL2246989 0.80 MAPK1 (0.47) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL10858808 0.80 KDM4E (0.54) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL10858797 0.80 KDM4E (0.54) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL17152434 0.80 GAA (0.59) MEN1KMT2AMAPK1LMNAKDM4E

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-4596803-A Treating myocardial infarction NIPPON CHEMIPHAR CO., LTD. (JP) 1986-06-24 — — US disclosed
US-4507297-A MYOCARDIAL INFARCTION NIPPON CHEMIPHAR CO., LTD. (JP) 1985-03-26 — — US disclosed
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