SCHEMBL29158682

SCHEMBL29158682

COc1ccc(-c2nc(C(=O)NCCN3CCN(C)CC3)c(-c3ccccc3)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 3/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C9 P11712 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.45

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) KDM5BALDH1A1HPGDUSP2TSHR
SCHEMBL29158748 0.91 KMT2A (0.56) KDM5BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30106350 0.91 KMT2A (0.56) KDM5BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29158654 0.89 USP2 (0.46) KDM5BALDH1A1HPGDUSP2
SCHEMBL29158752 0.89 BCL2L1 (0.52) KDM5BALDH1A1HPGDMAPTUSP2
SCHEMBL29158760 0.88 ALDH1A1 (0.48) KDM5BALDH1A1HSD17B10POLBMAPT
SCHEMBL29159002 0.88 KDM5B (0.52) KDM5BHPGDCYP1A2USP2MMP12
SCHEMBL29158732 0.87 USP2 (0.45) KDM5BKDM4EALDH1A1HPGDMAPT
SCHEMBL30106384 0.87 USP2 (0.45) KDM5BALDH1A1HPGDUSP2TSHR
SCHEMBL29158637 0.87 HPGD (0.45) KDM5BALDH1A1HPGDMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed
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