SCHEMBL8379290

SCHEMBL8379290

Cc1c(Sc2nc3cc(C(F)(F)F)ccc3[nH]2)ccnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT3 P40763 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ILK Q13418 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
NPBWR1 P48145 2/20 0.34
DYRK1A Q13627 3/20 0.34

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
SCHEMBL8381287 0.84 MAPT (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
Water SCHEMBL8379647 0.83 MAPT (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8383760 0.83 MAPT (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8384646 0.82 HPGD (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8384586 0.81 FABP6 (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8380671 0.81 HTT (0.44) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL8379431 0.80 MAOA (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8382787 0.79 KMT2A (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8384667 0.79 RAB9A (0.46) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL8379364 0.77 ATP4A (0.38) MEN1KMT2AMAPTKDM4EALDH1A1

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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed