SCHEMBL29122916

SCHEMBL29122916

COC(=O)c1c2cc(Br)ccc2nn1[C@@H]1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ SRC P12931 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ ELANE P08246 3/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ SPR P35270 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ IRAK4 Q9NWZ3 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
SCHEMBL29121571 1.00 L3MBTL1 (0.40) L3MBTL1TSHRHTTMAPK8SRC
SCHEMBL29122594 1.00 L3MBTL1 (0.40) L3MBTL1TSHRHTTMAPK8SRC
SCHEMBL29122002 0.94 MAPK8 (0.39) L3MBTL1TSHRHTTMAPK8SLC2A1
SCHEMBL29122339 0.93 L3MBTL1 (0.41) L3MBTL1TSHRHTTMAPK8SLC2A1
SCHEMBL29121823 0.85 MAPK8 (0.45) L3MBTL1TSHRHTTMAPK8ELANE
SCHEMBL29122733 0.85 L3MBTL1 (0.43) L3MBTL1TSHRHTTMAPK8ELANE
SCHEMBL28387098 0.84 MAPK8 (0.47) L3MBTL1TSHRHTTMAPK8ELANE
SCHEMBL29121796 0.82 SLC2A1 (0.44) L3MBTL1TSHRHTTMAPK8SLC2A1
SCHEMBL29121562 0.80 ELANE (0.51) TSHRELANEPDE1APDE1BPDE1C
SCHEMBL29121920 0.80 ELANE (0.51) TSHRELANEPDE1APDE1BPDE1C

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
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN disclosed
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