SCHEMBL29802422

SCHEMBL29802422

N#Cc1cc(N)c(N)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
XDH P47989 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TTR P02766 2/20 0.33
ALB P02768 2/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
USP2 O75604 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL15812540 1.00 VCAM1 (0.35) VCAM1KDM4EALDH1A1GAAXDH
SCHEMBL11525607 0.87 VCAM1 (0.39) VCAM1KDM4EALDH1A1GAAXDH
SCHEMBL21896545 0.79 VCAM1 (0.34) VCAM1KDM4EALDH1A1GAAMEN1
SCHEMBL26840549 0.77 TTR (0.35) VCAM1KDM4EALDH1A1GAAXDH
SCHEMBL11685893 0.77 ALDH1A1 (0.37) VCAM1KDM4EALDH1A1XDHMEN1
SCHEMBL11436064 0.77 TTR (0.50) VCAM1GAAXDHMEN1KMT2A
SCHEMBL26345588 0.77 TTR (0.40) VCAM1KDM4EALDH1A1GAAXDH
SCHEMBL11028824 0.77 CYP3A4 (0.37) VCAM1KDM4EALDH1A1XDHMEN1
SCHEMBL7951303 0.75 KDM4E (0.38) KDM4EALDH1A1GAAXDHMEN1
SCHEMBL2339085 0.74 ALDH1A1 (0.39) VCAM1KDM4EALDH1A1GAAXDH

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-114805804-A Branched cross-linked polyamic acid solution, polyimide adhesive, and preparation method and application thereof 北京宇程科技有限公司 2022-07-29 CN disclosed