SCHEMBL30734264

SCHEMBL30734264

Nc1ccc(-c2ncco2)cc1NC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT5B Q4FZB7 2/20 0.36
KMT5C Q86Y97 2/20 0.36
LTA4H P09960 7/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 5/20 0.34
HDAC3 O15379 3/20 0.34
HDAC2 Q92769 3/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM4 Q8TD43 1/20 0.33

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
SCHEMBL22043535 0.86 KDM4E (0.46) KDM4EGAAMAPTKMT5BKMT5C
SCHEMBL30734310 0.79 TP53 (0.47) GAAMAPTL3MBTL1
SCHEMBL27276581 0.78 KDM4E (0.47) KDM4EGAAMAPTKMT5BKMT5C
SCHEMBL17531762 0.73 MEN1 (0.48) LTA4HHDAC4ALDH1A1L3MBTL1
SCHEMBL27367073 0.71 KDM4E (0.40) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL1127714 0.69 LTA4H (0.42) LTA4HHDAC4ALDH1A1
SCHEMBL1829295 0.69 ALDH1A1 (0.53) KDM4EMAPTLTA4HHDAC4ALDH1A1
SCHEMBL27276191 0.68 MAPT (0.49) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL27275209 0.68 KDM4E (0.37) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL11964427 0.67 GAA (0.51) KDM4EGAAMAPTHDAC1HDAC3

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-2023250399-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed