SCHEMBL30606641

SCHEMBL30606641

CC(C)(C)C(=O)Oc1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.43
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL28655835 0.82 KDR (0.40) HSP90AA1P2RX7
SCHEMBL12470613 0.79 HSP90AA1 (0.40) KDM4EHSP90AA1ALDH1A1P2RX7MAPT
SCHEMBL5968188 0.79 ELANE (0.44) ELANEKDM4EHSP90AA1P2RX7
SCHEMBL28022016 0.78 RAB9A (0.39) KDM4EHSP90AA1ALDH1A1P2RX7
SCHEMBL29080505 0.78 HSP90AA1 (0.39) KDM4EHSP90AA1ALDH1A1P2RX7MAPT
SCHEMBL30575119 0.78 HSP90AA1 (0.39) KDM4EHSP90AA1ALDH1A1P2RX7MAPT
SCHEMBL3657194 0.77 HSP90AA1 (0.41) HSP90AA1P2RX7KMT2A
SCHEMBL6648327 0.76 P2RX7 (0.41) KDM4EHSP90AA1ALDH1A1P2RX7
SCHEMBL11717509 0.76 ELANE (0.47) ELANEALDH1A1
SCHEMBL8390998 0.76 HSP90AA1 (0.45) KDM4EHSP90AA1P2RX7KMT2A

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-2023196614-A1 METHODS AND COMPOUNDS FOR TREATING NEUROLOGICAL DISORDERS AXONIS THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed