SCHEMBL30935536

SCHEMBL30935536

CC(C)C(O)CC(=O)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.35
TBXAS1 P24557 5/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
AHR P35869 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
HMOX2 P30519 1/20 0.32

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
SCHEMBL25635684 0.84 TBXAS1 (0.37) KDM4EKMT2ATBXAS1ALDH1A1EGLN3
SCHEMBL13102475 0.79 TBXAS1 (0.38) KDM4EKMT2ATBXAS1ALDH1A1EGLN3
SCHEMBL25507659 0.79 TBXAS1 (0.36) KDM4EKMT2ATBXAS1ALDH1A1RAB9A
SCHEMBL13102757 0.79 TBXAS1 (0.48) KDM4ETBXAS1ALDH1A1EGLN3FAAH
SCHEMBL30935682 0.79 FAAH (0.35) KDM4EKMT2ATBXAS1ALDH1A1RAB9A
SCHEMBL15730995 0.79 TBXAS1 (0.35) KDM4EKMT2ATBXAS1ALDH1A1EGLN3
SCHEMBL4211619 0.79 TBXAS1 (0.35) KDM4EKMT2ATBXAS1ALDH1A1EGLN3
SCHEMBL4211623 0.79 TBXAS1 (0.35) KDM4EKMT2ATBXAS1ALDH1A1EGLN3
SCHEMBL13518237 0.77 ADRB2 (0.32) KDM4ETBXAS1EGLN3
SCHEMBL22047552 0.77 TBXAS1 (0.46) TBXAS1ALDH1A1EGLN3FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630424-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed