SCHEMBL28290075

SCHEMBL28290075

Nc1ccccc1C12CC3CC(C1)CC(c1ccccc1N)(C3)C2(c1ccccc1N)c1ccccc1N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 2/20 0.32
EPHX1 P07099 1/20 0.30
HTR2A P28223 1/20 0.30
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL25125099 0.75 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5872142 0.74 MEN1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7047928 0.70
SCHEMBL4846108 0.69 ALDH1A1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL163247 0.69 KDM4E (0.46) ALDH1A1ALOX15SMN1; SMN2P2RX7EPHX1
SCHEMBL5898898 0.68 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4ALOX15
SCHEMBL5898840 0.68 P2RX7 (0.33) P2RX7HTR2A
SCHEMBL2319389 0.67 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6884403 0.67 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6884408 0.67 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-109535473-A A kind of low water absorption crosslinked polyimide aeroge preparation method 沈阳化工大学 2019-03-29 CN claimed