SCHEMBL27565347

SCHEMBL27565347

COC(=O)c1cccc(C(=O)O)c1-c1ccc(F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ DHODH Q02127 2/20 0.43
▸ AXL P30530 1/20 0.40
▸ PDK2 Q15119 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL27565328 0.85 KDM4E (0.43) SLC6A3SLC6A4AXLSMN1; SMN2TSHR
SCHEMBL27585156 0.84 LMNA (0.48) SLC6A3SLC6A4DHODHAXLSMN1; SMN2
SCHEMBL27585150 0.78 MAPK1 (0.52) DHODHSMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL29094948 0.78 FABP4 (0.54) SLC6A3SLC6A4SMN1; SMN2TSHRMEN1
SCHEMBL27568452 0.77 FTO (0.42) SLC6A3SMN1; SMN2TSHRTDP1MEN1
SCHEMBL27341171 0.76 PKN1 (0.52) AXLSMN1; SMN2TSHRTDP1MEN1
SCHEMBL27454418 0.76 ALDH1A1 (0.49) SLC6A3SLC6A4SMN1; SMN2TSHRMEN1
SCHEMBL27585176 0.75 MAP4K4 (0.48) SLC6A3SLC6A4AXLSMN1; SMN2TSHR
SCHEMBL27892517 0.74 SMN1; SMN2 (0.44) SLC6A3SLC6A4SMN1; SMN2TSHRTDP1
SCHEMBL27875977 0.73 LOXL2 (0.53) SLC6A3SLC6A4SMN1; SMN2TSHRMEN1

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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