SCHEMBL31479181

SCHEMBL31479181

COC(=O)C1CCC(n2cncn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
IDO1 P14902 1/20 0.34
MAPT P10636 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
SCHEMBL15656431 0.76 EPHX2 (0.46) EPHX2POLBLMNA
SCHEMBL29159598 0.75 EPHX2 (0.41) EPHX2KDM4ETP53SMN1; SMN2MEN1
SCHEMBL22228077 0.72 SMN1; SMN2 (0.41) KDM4ETP53SMN1; SMN2MEN1KMT2A
SCHEMBL22228075 0.72 SMN1; SMN2 (0.41) KDM4ETP53SMN1; SMN2MEN1KMT2A
SCHEMBL16793947 0.72 KDM5A (0.41) KDM4ETP53SMN1; SMN2MEN1KMT2A
SCHEMBL24669915 0.72 KDM5A (0.41) KDM4ETP53SMN1; SMN2MEN1KMT2A
SCHEMBL30642227 0.72 JAK1 (0.45) EPHX2KMT2A
SCHEMBL244740 0.71
SCHEMBL2948892 0.71 TP53 (0.56) TP53SMN1; SMN2ALDH1A1POLBGAA
SCHEMBL2200767 0.71 TP53 (0.56) TP53SMN1; SMN2ALDH1A1POLBGAA

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed