SCHEMBL19251168

SCHEMBL19251168

CCC(C)(C)c1cnc(N2CCOCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PIK3CA P42336 3/20 0.42
▸ PIK3R1 P27986 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL22778645 0.88 POLB (0.45) POLBMAPK1SMN1; SMN2KDM4EPIK3CA
SCHEMBL22778684 0.85 HRH3 (0.43) KDM4EHRH3
SCHEMBL9908476 0.83 POLB (0.53) POLBMAPK1SMN1; SMN2KDM4EPIK3CA
SCHEMBL10331986 0.80 ALDH1A1 (0.50) POLBSMN1; SMN2KDM4EKMT2ACNR2
SCHEMBL13662110 0.79 IMPDH2 (0.39) MAPK1KDM4EPIK3CAPIK3R1KMT2A
SCHEMBL14236595 0.77 SYK (0.45) POLBMAPK1SMN1; SMN2HRH3ALDH1A1
SCHEMBL10272665 0.76 POLB (0.53) POLBMAPK1SMN1; SMN2KDM4EPIK3CA
SCHEMBL19965625 0.76 ACHE (0.46) MAPK1SMN1; SMN2KDM4EPIK3CAPIK3R1
SCHEMBL24590359 0.75 POLB (0.49) POLBMAPK1SMN1; SMN2KDM4EPIK3CA
SCHEMBL8375217 0.75 MAPT (0.49) POLBMAPK1SMN1; SMN2KDM4EKMT2A

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
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
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