SCHEMBL30753725

SCHEMBL30753725

N#Cc1ccc(C[C@@H](CC(=O)Nc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ CTSC P53634 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30753700 0.90 SMN1; SMN2 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30753720 0.90 RAB9A (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30753730 0.88 MC4R (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30753712 0.88 RAB9A (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30753733 0.87 RAB9A (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30753723 0.86 LTA4H (0.58) LTA4HFNTAFNTB
SCHEMBL30753715 0.86 RAB9A (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30753734 0.85 RAB9A (0.41) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30753713 0.80 BDKRB2 (0.46) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL30753716 0.77 HDAC6 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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
CN-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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