SCHEMBL11903563

SCHEMBL11903563

O=[N+]([O-])c1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
HTT P42858 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MMP13 P45452 3/20 0.65
MMP2 P08253 2/20 0.65
MMP9 P14780 2/20 0.65
MMP8 P22894 2/20 0.65
NPBWR1 P48145 8/20 0.58
NPC1 O15118 5/20 0.58
CHEK2 O96017 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56

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
SCHEMBL11903560 0.91 MAPT (0.60) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL28761270 0.83 RAB9A (1.00) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL31357765 0.83 RAB9A (1.00) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL30726440 0.83 RAB9A (0.75) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL27040204 0.83 RAB9A (0.75) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL11903481 0.81 TRPV1 (0.72) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL3408914 0.80 MAPT (0.47) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL11903492 0.79 NPC1 (0.66) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL31357888 0.79 RAB9A (0.81) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL3204662 0.78 RAB9A (0.75) RAB9AMAPTSMN1; SMN2HTTMEN1

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-8293780-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making U.S. DEPARTMENT OF ENERGY (US) 2012-10-23 US disclosed
US-8242284-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 2012-08-14 US disclosed