SCHEMBL31228598

SCHEMBL31228598

COC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(c2nccs2)[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.32
HPGDS O60760 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
MAPK10 P53779 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL31228458 0.86 GRIN2B (0.37) HSD17B10ALDH1A1KMT2AMEN1
SCHEMBL31228613 0.85 TSHR (0.36) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL31228299 0.76 TSHR (0.35) HTTHRH3ALDH1A1KMT2AMEN1
SCHEMBL31228607 0.74 ATM (0.31) KMT2AMEN1
SCHEMBL31228414 0.69 KMT2A (0.32) KMT2A
SCHEMBL31228509 0.61 MMP3 (0.31) KMT2A
SCHEMBL31228362 0.61 MMP3 (0.31) KMT2A
SCHEMBL31228189 0.61 MMP3 (0.31) KMT2A
SCHEMBL23298025 0.60 SLC6A2 (0.36) ALDH1A1KMT2AMEN1
SCHEMBL23298028 0.60 SLC6A2 (0.36) ALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed