SCHEMBL30636786

SCHEMBL30636786

[2H]CC(=Nc1ccccc1C(C)(C)C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AGTR1 P30556 2/20 0.41
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL17620785 0.92 KDM4E (0.54) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15828354 0.92 KDM4E (0.54) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28026184 0.91 KDM4E (0.53) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL3824137 0.79 GRIN2D (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7261951 0.79 KDM4E (0.53) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6227985 0.79 KDM4E (0.53) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL818887 0.79 GRIN2D (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL819043 0.78 GRIN2D (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29494130 0.78 GRIN2D (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31465572 0.78 GRIN2D (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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
CN-117024354-A Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-11-10 CN disclosed