SCHEMBL14786459

SCHEMBL14786459

CCOC(=O)Oc1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
EPHX2 P34913 15/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2570023 0.88 EPHX2 (0.49) POLBEPHX2EPHX1ALDH1A1FAAH
SCHEMBL14793970 0.87 EPHX2 (0.49) POLBEPHX2MAPTEPHX1ALDH1A1
SCHEMBL2568013 0.85 EPHX2 (0.52) POLBEPHX2MAPTALDH1A1LMNA
SCHEMBL2571169 0.82 EPHX2 (0.52) POLBEPHX2MAPTLMNANPC1
SCHEMBL13197862 0.81 MCHR1 (0.45) POLBEPHX2MAPTEPHX1FAAH
SCHEMBL1594683 0.81 EPHX2 (0.50) POLBEPHX2EPHX1ALDH1A1FAAH
SCHEMBL2571142 0.79 EPHX2 (0.54) POLBEPHX2MAPTALDH1A1FAAH
SCHEMBL2568709 0.77 MEN1 (0.37) POLBMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13197817 0.77 EPHX2 (0.44) EPHX2EPHX1ALDH1A1
SCHEMBL2569969 0.76 MCHR1 (0.44) POLBEPHX2MAPTEPHX1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755964-B1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS ANTI INFECTIVE CURES GMBH (DE) 2016-06-22 EP disclosed
EP-2755964-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2014-07-23 EP disclosed
WO-2013037812-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2013-03-21 WO disclosed