SCHEMBL30106384

SCHEMBL30106384

CN1CCN(CCNC(=O)c2nc(-c3ccc(N(C)C)cc3)oc2-c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
KDM5B Q9UGL1 6/20 0.44
HPGD P15428 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PDE10A Q9Y233 1/20 0.42
RAD52 P43351 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MMP12 P39900 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CDC25A P30304 1/20 0.40
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL27189070 0.92 HPGD (0.50) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29158752 0.89 BCL2L1 (0.52) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29158654 0.89 USP2 (0.46) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29158732 0.87 USP2 (0.45) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29158682 0.87 KDM5B (0.52) USP2KDM5BHPGDALDH1A1MMP12
SCHEMBL29158637 0.87 HPGD (0.45) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29158694 0.86 USP2 (0.47) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29158913 0.86 EGLN2 (0.49) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29158719 0.86 CD274 (0.49) USP2KDM5BHPGDCD274ALDH1A1
SCHEMBL29159002 0.86 KDM5B (0.52) USP2KDM5BHPGDCD274RAD52

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-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed