SCHEMBL30858815

SCHEMBL30858815

CC(C)(C)OC(=O)CC[C@H](N)C(=O)Nc1cccc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PABPC1 P11940 4/20 0.48
▸ EIF4H Q15056 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL29221847 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EPABPC1
SCHEMBL30858822 0.81 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4EPABPC1
SCHEMBL29221831 0.80 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EPABPC1
SCHEMBL116767 0.77 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4EPABPC1
SCHEMBL12864492 0.73 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EPABPC1
SCHEMBL3634045 0.72 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EPABPC1
SCHEMBL3429202 0.71 HDAC1 (0.57) MEN1KMT2AALDH1A1PABPC1HDAC6
SCHEMBL27599336 0.71 MEN1 (0.76) MEN1KMT2AALDH1A1KDM4EPABPC1
SCHEMBL30567114 0.71 MTNR1B (0.55) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8110781 0.70 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EPABPC1

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-117886748-A Quinoline amino acid conjugate and preparation method and application thereof 天津科技大学 2024-04-16 — — CN disclosed
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