SCHEMBL27041657

SCHEMBL27041657

CCCCC(N)C(=O)N(C)C(Cc1cccnc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ TBXAS1 P24557 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ SLC1A5 Q15758 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ FDPS P14324 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37

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
SCHEMBL27041653 1.00 LMNA (0.44) LMNATBXAS1TDP1L3MBTL1KDM4E
SCHEMBL30759455 0.86 CTSK (0.42) LMNAKMT2APKMSLC1A5MMP9
SCHEMBL30759428 0.86 RIPK1 (0.39) LMNATDP1L3MBTL1KMT2APKM
SCHEMBL31754336 0.84 LMNA (0.39) LMNATDP1L3MBTL1KMT2APKM
SCHEMBL30759465 0.81 LMNA (0.37) LMNATBXAS1ANPEPERAP2ERAP1
SCHEMBL27041659 0.80 KCNA5 (0.45) LMNAANPEPERAP2ERAP1SLC1A5
SCHEMBL27041655 0.80 KCNA5 (0.45) LMNAANPEPERAP2ERAP1SLC1A5
SCHEMBL30759517 0.78 LMNA (0.42) LMNATBXAS1KDM4EKMT2APKM
SCHEMBL7907904 0.77 ALPI (0.50) PKMANPEP
SCHEMBL31000651 0.76 MME (0.50) MMP2MMP9

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
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — WO disclosed
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