SCHEMBL2743087

SCHEMBL2743087

CC(C)(C)c1nn(-c2ccccc2)c(N)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
MAPT P10636 9/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 5/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
RIPK2 O43353 3/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL8997188 0.85 GAA (0.57) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL10570371 0.83 GAA (0.56) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL10570828 0.82 GAA (0.55) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL29099235 0.81 GAA (0.47) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL2546236 0.81 GAA (0.68) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL2743093 0.80 MAPT (0.45) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL12636700 0.80 GAA (0.44) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL11546523 0.79 GAA (0.65) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL2743085 0.79 GAA (0.38) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL14227931 0.78 RIPK2 (0.39) GAAMAPTALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202327-B2 Pigment composition, inkjet recording ink, coloring composition for color filter, and color filter FUJIFILM CORPORATION (JP) 2012-06-19 US disclosed
US-20120001133-A1 PIGMENT COMPOSITION, INKJET RECORDING INK, COLORING COMPOSITION FOR COLOR FILTER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed
US-5593997-A 4-aminopyrazolo(3-,4-D)pyrimidine and 4-aminopyrazolo-(3,4-D)pyridine tyrosine kinase inhibitors PFIZER INC. (US) 1997-01-14 US disclosed