SCHEMBL2807558

SCHEMBL2807558

CCCc1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.69
MAPT P10636 11/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
TP53 P04637 3/20 0.62
GAA P10253 4/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
XBP1 P17861 2/20 0.58
HPGD P15428 1/20 0.58
ATM Q13315 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NAMPT P43490 1/20 0.58
MAPK1 P28482 2/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KIF11 P52732 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
SCHEMBL25835518 0.91 HTT (0.72) HTTMAPTSMN1; SMN2TP53GAA
SCHEMBL12484958 0.81 MAPT (0.65) HTTMAPTSMN1; SMN2TP53GAA
SCHEMBL12485659 0.79 MAPT (0.60) HTTMAPTSMN1; SMN2TP53GAA
SCHEMBL28811027 0.79 HTT (0.68) HTTMAPTTP53LMNAHSD17B10
SCHEMBL12483278 0.78 MAPT (0.76) HTTMAPTSMN1; SMN2TP53GAA
SCHEMBL2807227 0.74 IDH2 (0.58) MAPTLMNAMAPK1
SCHEMBL3439833 0.74 HTT (0.64) HTTLMNAPOLBPKMKMT2A
SCHEMBL12484554 0.73 MAPT (0.65) HTTMAPTSMN1; SMN2TP53GAA
SCHEMBL12485000 0.73 MAPT (0.64) HTTMAPTSMN1; SMN2TP53GAA
SCHEMBL12485788 0.73 MAPT (0.58) HTTMAPTSMN1; SMN2TP53GAA

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed