SCHEMBL11903560

SCHEMBL11903560

O=[N+]([O-])c1cccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HTT P42858 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MMP13 P45452 3/20 0.56
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
GUSB P08236 2/20 0.51
NPBWR1 P48145 6/20 0.50
NPC1 O15118 3/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CHEK2 O96017 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL11903563 0.91 RAB9A (0.70) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL28761269 0.83 RAB9A (0.80) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL11903477 0.81 TRPV1 (0.57) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL3408914 0.80 MAPT (0.47) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL11903487 0.79 CYP1A2 (0.54) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL31154212 0.79 MAPT (0.68) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL3204647 0.78 RAB9A (0.60) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL3336091 0.78 RAB9A (0.80) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL5951537 0.76 CBFB (0.44) MAPTRAB9ASMN1; SMN2HTTMEN1
SCHEMBL986972 0.76 CYP1A2 (0.47) MAPTRAB9ASMN1; 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