SCHEMBL2944533

SCHEMBL2944533

Cc1cc(C)cc(Nc2ccccc2N)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
GAA P10253 6/20 0.69
TDP1 Q9NUW8 2/20 0.69
KDM4E B2RXH2 4/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 1/20 0.62
APP P05067 1/20 0.62
ALOX15 P16050 1/20 0.62
SNCA P37840 1/20 0.62
BLM P54132 1/20 0.62
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL9183066 0.96 MAPT (0.69) MAPTGAATDP1KDM4EHPGD
SCHEMBL32669023 0.87 MAPT (0.58) MAPTGAATDP1KDM4EHPGD
SCHEMBL1921447 0.85 RAPGEF4 (0.50) MAPTGAATDP1KDM4EHPGD
SCHEMBL2931765 0.85 MAPT (0.74) MAPTGAATDP1KDM4EHPGD
SCHEMBL4945848 0.85 MAPT (0.65) MAPTGAATDP1KDM4EHPGD
SCHEMBL2602405 0.82 MAPT (1.00) MAPTGAATDP1KDM4EHPGD
SCHEMBL14068594 0.80 MAPT (0.59) MAPTGAATDP1KDM4EHPGD
SCHEMBL28005209 0.79 MAPT (0.58) MAPTGAATDP1KDM4EHPGD
SCHEMBL22434027 0.79 RAPGEF4 (0.50) MAPTGAATDP1TP53ALDH1A1
SCHEMBL28187383 0.79 NPSR1 (0.57) MAPTGAATDP1KDM4EHPGD

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-7759295-B2 Lubricating compositions containing ashless catalytic antioxidant additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-07-20 US claimed