SCHEMBL6442986

SCHEMBL6442986

COc1ccccc1/C=N\C(C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.40
NFE2L2 Q16236 3/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6442988 1.00 GAA (0.43) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6442670 0.90 GAA (0.41) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6442668 0.90 GAA (0.41) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6442353 0.86 ANO1 (0.44) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6445689 0.86 ANO1 (0.42) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6442356 0.86 ANO1 (0.44) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6442702 0.86 HPGD (0.44) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6442705 0.86 HPGD (0.44) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6446544 0.85 GAA (0.43) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6444068 0.85 GRIN2D (0.40) GAAGRIN2DGRIN3BGRIN1GRIN2A

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-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed