SCHEMBL14025102

SCHEMBL14025102

N[C@H](CF)[C@H](O)c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ RORC P51449 2/20 0.37
▸ FAAH O00519 3/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ CDK1 P06493 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 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
SCHEMBL14025094 0.81 GSK3B (0.41) KDM4EALDH1A1RORCMEN1KMT2A
SCHEMBL15628442 0.80 ALDH1A1 (0.46) KDM4EALDH1A1PRMT5WDR77RORC
SCHEMBL14024886 0.80 ADRB1 (0.44) KDM4EALDH1A1ADRB2ADRB1
SCHEMBL20026130 0.76 ALDH1A1 (0.42) KDM4EALDH1A1PRMT5WDR77RORC
SCHEMBL14023963 0.75 DPP4 (0.37) RORCDPP4
SCHEMBL14025103 0.74 KDM4E (0.45) KDM4EALDH1A1PRMT5WDR77RORC
SCHEMBL19063587 0.74 KDM4E (0.45) KDM4EALDH1A1PRMT5WDR77RORC
SCHEMBL9888688 0.74 KDM4E (0.56) KDM4EALDH1A1PRMT5WDR77RORC
SCHEMBL12219412 0.71 KDM4E (0.51) KDM4EALDH1A1PRMT5WDR77RORC
SCHEMBL10022346 0.71 KDM4E (0.54) KDM4EALDH1A1RORCMEN1KMT2A

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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