SCHEMBL3289236

SCHEMBL3289236

Nc1ccccc1C(=O)c1cccc(N)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 4/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CFTR P13569 1/20 0.48
ESRRA P11474 4/20 0.46
RECQL P46063 1/20 0.46
MMP2 P08253 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
G6PD P11413 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
TSHR P16473 1/20 0.41

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
Hydrochloric Acid SCHEMBL9847483 0.98 MAPT (0.59) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL686612 0.93 MAPT (0.50) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL30790667 0.89 MAPT (0.74) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL112507 0.89 MAPT (0.74) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL8764887 0.86 MAPT (0.71) MAPTGAAHSD17B10TP53ALOX15
Ammonia Solution, Strong SCHEMBL10992665 0.86 MAPT (0.71) MAPTGAAHSD17B10TP53ALOX15
Hydrochloric Acid SCHEMBL11745887 0.86 MAPT (0.71) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL9098491 0.86 MAPT (0.60) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL6466246 0.86 G6PD (0.60) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL28403451 0.84 MAPK13 (0.54) MAPTGAAHSD17B10ALDH1A1CFTR

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
US-7723460-B2 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2010-05-25 US disclosed
US-20070148465-A1 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2007-06-28 US disclosed