SCHEMBL27568452

SCHEMBL27568452

COC(=O)c1cccc(C(=O)O)c1-c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CFTR P13569 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL27585150 0.85 MAPK1 (0.52) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL27341171 0.83 PKN1 (0.52) FTOTSHRMAPTKMT2AMEN1
SCHEMBL27585160 0.83 ATM (0.48) TSHRMAPTKMT2AMEN1HTT
SCHEMBL29094948 0.82 FABP4 (0.54) TSHRMAPTKMT2AMEN1HTT
SCHEMBL27565350 0.82 MAPK1 (0.51) TSHRKMT2AMEN1HTTSMN1; SMN2
SCHEMBL3388407 0.82 FABP3 (0.51) KMT2AHTTALDH1A1HSD17B10KDM4E
SCHEMBL27565328 0.78 KDM4E (0.43) TSHRMAPTKMT2AMEN1HTT
SCHEMBL27585156 0.77 LMNA (0.48) TSHRMAPTKMT2AMEN1HTT
SCHEMBL27565347 0.77 SLC6A3 (0.43) TSHRMAPTKMT2AMEN1HTT
SCHEMBL27454418 0.77 ALDH1A1 (0.49) TSHRMAPTKMT2AMEN1HTT

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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