SCHEMBL27585160

SCHEMBL27585160

COC(=O)c1cccc(C(=O)O)c1-c1cncc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ CYP46A1 Q9Y6A2 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ XDH P47989 4/20 0.40
▸ SLC22A12 Q96S37 3/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL27565350 0.85 MAPK1 (0.51) HCAR2MAPK1MEN1KMT2AALDH1A1
SCHEMBL27568452 0.83 FTO (0.42) ATMMAPK1MEN1MAPTKMT2A
SCHEMBL27585150 0.81 MAPK1 (0.52) MAPK1KMT2AALDH1A1GAAHTT
SCHEMBL27341171 0.79 PKN1 (0.52) ATMCYP46A1MEN1MAPTKMT2A
SCHEMBL29094948 0.78 FABP4 (0.54) ATMMEN1MAPTKMT2AALDH1A1
SCHEMBL27565328 0.77 KDM4E (0.43) MEN1MAPTKMT2AALDH1A1TSHR
SCHEMBL27585176 0.75 MAP4K4 (0.48) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL27532005 0.73 HCAR2 (0.44) HCAR2XDHSLC22A12ALDH1A1HTT
SCHEMBL27585156 0.73 LMNA (0.48) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL27565347 0.73 SLC6A3 (0.43) MAPK1MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1392874-A Cyclic amidine compounds SUNTORY LTD (JP) 2003-01-22 — — CN claimed
CN-1392874-A Cyclic amidine compounds SUNTORY LTD (JP) 2003-01-22 — — CN disclosed
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