SCHEMBL25786302

SCHEMBL25786302

Cc1ncc2c(ncn2C(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4282443 0.75 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL12775631 0.72 HDAC6 (0.37) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL25786299 0.69
SCHEMBL2618032 0.67 ALDH1A1 (0.38) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24910096 0.66 NPC1 (0.34) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL12410751 0.64 LTA4H (0.35) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL14871073 0.63 KDM4E (0.36) ALDH1A1KDM4EMAPTLMNA
SCHEMBL23476802 0.63 NPC1 (0.37) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL24995633 0.62 PI4KA (0.38) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL976444 0.62 PI4KA (0.41) ALDH1A1NPC1RAB9API4KAPI4K2B

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed