SCHEMBL16585996

SCHEMBL16585996

Cc1cnc(Cl)nc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 3/20 0.57
▸ ATF1 P18846 1/20 0.57
▸ MAPT P10636 1/20 0.49
▸ AHR P35869 1/20 0.48
▸ XPO1 O14980 2/20 0.47
▸ JUN P05412 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ KCNQ3 O43525 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46
▸ KCNE1 P15382 1/20 0.46
▸ KCNQ1 P51787 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NR3C1 P04150 2/20 0.46
▸ TRPV1 Q8NER1 2/20 0.46
▸ TLR8 Q9NR97 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GMNN O75496 1/20 0.45

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
SCHEMBL16585956 0.87 MAPT (0.49) NFKB1ATF1MAPTAHRTRPV1
SCHEMBL16586318 0.84 AHR (0.50) NFKB1ATF1MAPTAHRKCNQ3
SCHEMBL16596137 0.81 KDR (0.48) MAPT
SCHEMBL25210996 0.76 AHR (0.56) NFKB1ATF1MAPTAHRXPO1
SCHEMBL16596092 0.74 KDR (0.52) —
SCHEMBL2238984 0.74 MAPT (0.50) MAPTKMT2AATMTRPV1TLR8
SCHEMBL14284668 0.72 TRPV1 (0.49) MAPTTRPV1TLR8SMN1; SMN2NPC1
SCHEMBL14284358 0.72 TLR7 (0.62) MAPTTRPV1NPC1RAB9A
SCHEMBL8812525 0.71 RAB9A (0.86) NFKB1ATF1AHRTRPV1TLR8
SCHEMBL4701462 0.71 MAPT (0.52) MAPTTRPV1LMNARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015040405-A2 AGRICULTURAL CHEMICALS REDX PHARMA LIMITED (GB) 2015-03-26 — — WO disclosed
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