SCHEMBL28490621

SCHEMBL28490621

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(NCC3CCCN3C(=O)O)c2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CCR1 P32246 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ FAP Q12884 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ KDM8 Q8N371 1/20 0.35
▸ KDM4C Q9H3R0 3/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL18285582 0.89 PRMT5 (0.41) HRH3ALDH1A1KDM4E
SCHEMBL18285579 0.89 PRMT5 (0.41) HRH3ALDH1A1KDM4E
SCHEMBL28491911 0.87 HRH3 (0.38) HRH3CCR1FFAR1FAPGRIN2B
SCHEMBL18285498 0.84 LMNA (0.33) HRH3GRIN2BALDH1A1
SCHEMBL18285575 0.79 GFER (0.42) —
SCHEMBL18285566 0.79 GFER (0.42) —
SCHEMBL18285485 0.77 MEN1 (0.40) HRH3KDM4E
SCHEMBL18285483 0.77 MEN1 (0.40) HRH3KDM4E
SCHEMBL2707356 0.75 LMNA (0.45) ALDH1A1BLMPMP22SMN1; SMN2KDM4E
SCHEMBL29471046 0.74 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4E

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-113149983-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2024-03-29 — — CN disclosed
CN-113149983-A Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2021-07-23 — — CN disclosed
CN-106459049-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2020-11-27 — — CN disclosed
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