SCHEMBL11271295

SCHEMBL11271295

N=C(N)NC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.71
TDP1 Q9NUW8 1/20 0.56
FAAH O00519 2/20 0.56
EPHX1 P07099 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 3/20 0.53
TRPV1 Q8NER1 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
HDAC3 O15379 1/20 0.49

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
SCHEMBL4104600 0.84 MAPT (0.56) EPHX2TDP1FAAHRAB9ANPC1
SCHEMBL9955776 0.84 EPHX2 (0.62) EPHX2TDP1FAAHEPHX1RAB9A
SCHEMBL11555827 0.84 EPHX2 (1.00) EPHX2TDP1FAAHEPHX1RAB9A
Hydrochloric Acid SCHEMBL4482069 0.83 MAPT (0.54) EPHX2TDP1FAAHRAB9ANPC1
SCHEMBL4104599 0.82 EPHX2 (0.61) EPHX2TDP1FAAHRAB9ANPC1
SCHEMBL11137428 0.82 MAPT (0.71) EPHX2TDP1RAB9ANPC1MAPT
SCHEMBL29128694 0.81 EPHX2 (0.75) EPHX2TDP1FAAHEPHX1RAB9A
SCHEMBL5643502 0.81 EPHX2 (0.80) EPHX2TDP1FAAHEPHX1RAB9A
SCHEMBL169453 0.80 EPHX2 (0.73) EPHX2FAAHEPHX1RAB9ANPC1
SCHEMBL11058297 0.80 EPHX2 (0.68) EPHX2RAB9ANPC1MAPTKMT2A

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
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed