SCHEMBL12171071

SCHEMBL12171071

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.69
▸ FAAH O00519 1/20 0.69
▸ NPC1 O15118 7/20 0.64
▸ RAB9A P51151 7/20 0.64
▸ MITF O75030 3/20 0.64
▸ PAX8 Q06710 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ TP53 P04637 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ CASP3 P42574 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ HPSE Q9Y251 1/20 0.62
▸ GAA P10253 1/20 0.61
▸ POLB P06746 1/20 0.58
▸ CBS P35520 1/20 0.57
▸ IDH1 O75874 1/20 0.57

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
SCHEMBL6110185 0.86 EPHX2 (0.91) EPHX2FAAHNPC1RAB9AKMT2A
SCHEMBL22103767 0.85 EPHX2 (0.86) EPHX2FAAHNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2105696 0.85 NPC1 (0.69) NPC1RAB9AMITFSMN1; SMN2MEN1
SCHEMBL4097097 0.84 MEN1 (0.56) EPHX2FAAHNPC1RAB9AMEN1
SCHEMBL26154100 0.83 EPHX2 (0.71) EPHX2FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL11555827 0.82 EPHX2 (1.00) EPHX2FAAHNPC1RAB9AMEN1
SCHEMBL26156260 0.82 EPHX2 (0.69) EPHX2FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL2959925 0.82 HIF1A (0.72) NPC1RAB9AMITFPAX8SMN1; SMN2
SCHEMBL4258215 0.82 EPHX2 (1.00) EPHX2FAAHNPC1RAB9AKMT2A
SCHEMBL4116664 0.81 SMN1; SMN2 (0.67) EPHX2NPC1RAB9AMITFPAX8

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-2387995-A1 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC Therapeutics, Inc. (US) 2011-11-23 — — EP disclosed
WO-2007117438-A2 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. (US) 2007-10-18 — — WO disclosed
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