SCHEMBL9536488

SCHEMBL9536488

COc1nc(Cl)cc(N[C@@H](C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.40
▸ SCN9A Q15858 4/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ NPR3 P17342 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL2593811 0.77 CSF1R (0.41) FPR2SCN9AKMT2ALMNAMAPT
SCHEMBL16160098 0.77 CSF1R (0.41) FPR2SCN9AKMT2ALMNAMAPT
SCHEMBL25867761 0.76 TRPM8 (0.39) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL9953290 0.72 SCN9A (0.45) FPR2SCN9AKMT2ALMNAMAPT
SCHEMBL9953292 0.72 SCN9A (0.45) FPR2SCN9AKMT2ALMNAMAPT
SCHEMBL14743767 0.71 SCN9A (0.59) FPR2SCN9ALMNACA12NPR3
SCHEMBL14743097 0.71 SCN9A (0.59) FPR2SCN9ALMNACA12NPR3
SCHEMBL22873621 0.68 PTGDR (0.37) NPSR1CA12CA1CA14
SCHEMBL8819479 0.68 RXRA (0.38) LMNAALDH1A1SMN1; SMN2
SCHEMBL26698986 0.67 MAPT (0.38) KMT2ALMNAMAPTALDH1A1ATM

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
WO-1993005011-A1 NOVEL IMMUNOSUPPRESSANTS SANDOZ LTD. (CH) 1993-03-18 — — WO disclosed
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