SCHEMBL14024028

SCHEMBL14024028

N[C@H](CF)Cc1ccc(C2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ NMT1 P30419 2/20 0.32
▸ SOS1 Q07889 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ DPP4 P27487 2/20 0.30
▸ DPP7 Q9UHL4 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL14023889 0.92 GAA (0.34) BCL2L1MCL1SLC6A4NMT1GAA
SCHEMBL14023969 0.79 HTR2C (0.46) SLC6A4DPP4
SCHEMBL14025103 0.73 KDM4E (0.45) DPP4DPP7LMNAKMT2A
SCHEMBL12603830 0.73 CYP1A2 (0.43) GAALMNAKMT2ASMN1; SMN2SPHK1
SCHEMBL14024059 0.72 SLC18A3 (0.39) SLC6A4
SCHEMBL19062853 0.72 SLC6A4 (0.32) SLC6A4EPHX1
SCHEMBL3086027 0.70 SLC18A3 (0.41) SOS1LMNAKMT2ASMN1; SMN2
SCHEMBL14023961 0.70 RORC (0.44) LMNAKMT2A
SCHEMBL17186386 0.69 SPHK1 (0.40) BCL2L1MCL1SLC6A4SPHK1
SCHEMBL14024010 0.69 SLC6A4 (0.31) SLC6A4

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-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
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