Sugi Predict

Sugi Predict / Compounds / SCHEMBL2172185

SCHEMBL2172185

SCHEMBL2172185

COc1cnc2cc(CNCCC[C@H]3COC(=O)N3c3ccc4c(c3)NC(=O)CS4)c(F)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL2244898 0.85 KCNH2 (0.37) KCNH2TRPV1
SCHEMBL2244894 0.85 KCNH2 (0.37) KCNH2TRPV1
SCHEMBL3628396 0.79 KCNH2 (0.43) KCNH2
SCHEMBL3663085 0.77 KCNH2 (0.32) KCNH2TRPV1
SCHEMBL3629365 0.75 KCNH2 (0.50) KCNH2
SCHEMBL1844882 0.75 KCNH2 (0.33) KCNH2
SCHEMBL3662191 0.74 KCNH2 (0.39) KCNH2
SCHEMBL12096170 0.74 HTT (0.39) HPGDALDH1A1LMNATRPV1
SCHEMBL3630490 0.73 KCNH2 (0.37) KCNH2
SCHEMBL3659151 0.73 KCNH2 (0.37) KCNH2

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
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 — — EP disclosed
WO-2010041219-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 — — WO disclosed