SCHEMBL16346113

SCHEMBL16346113

Oc1c(OC(F)(F)F)ccc(Br)c1I

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
ERN1 O75460 1/20 0.32
PDE2A O00408 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC1A5 Q15758 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
SCHEMBL30297449 0.79 EPHX2 (0.30) EPHX2
SCHEMBL29033090 0.79 EPHX2 (0.33) EPHX2PDE2A
SCHEMBL18130015 0.76 EPHX2 (0.37) EPHX2ERN1PDE2AMAOAMAOB
SCHEMBL128470 0.74 ERN1 (0.32) ERN1MEN1LMNAMAPTHPGD
SCHEMBL21487604 0.74 PDE2A (0.33) EPHX2ERN1PDE2AMAOAMAOB
SCHEMBL25310703 0.73 KDM4E (0.34) EPHX2MAOAMAOBLMNAMAPT
SCHEMBL16345588 0.71 NOTUM (0.35) MEN1LMNAMAPTHTTKMT2A
SCHEMBL31418229 0.69 EPHX2 (0.38) EPHX2PDE2AMAOAMAOBMEN1
SCHEMBL263399 0.69 EPHX2 (0.38) EPHX2PDE2AMAOAMAOBMEN1
SCHEMBL20309114 0.69 TRPV1 (0.32) EPHX2SLC1A5

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-3016946-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2016-05-11 EP disclosed
WO-2015003166-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2015-01-08 WO disclosed