SCHEMBL23397116

SCHEMBL23397116

C=C(C)/C=C(\C=C/C)c1ccc(CNc2nccc(N3CCc4ccccc4C3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 7/20 0.47
▸ GRIN2D O15399 6/20 0.46
▸ GRIN3B O60391 6/20 0.46
▸ GRIN1 Q05586 6/20 0.46
▸ GRIN2A Q12879 6/20 0.46
▸ GRIN2B Q13224 6/20 0.46
▸ GRIN2C Q14957 6/20 0.46
▸ GRIN3A Q8TCU5 6/20 0.46
▸ KDM6B O15054 4/20 0.40
▸ CHRM1 P11229 3/20 0.39
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NR2C2 P49116 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ TAB1 Q15750 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 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
SCHEMBL23396886 0.91 ADAMTS4 (0.39) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23396959 0.84 HRH4 (0.47) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23396915 0.80 ADAMTS4 (0.43) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23397007 0.80 ADAMTS4 (0.44) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23396856 0.75 ADAMTS4 (0.37) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18743015 0.73 GRIN2D (0.53) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23396976 0.73 DYRK1A (0.43) —
SCHEMBL2954351 0.72 MKNK1 (0.55) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2954481 0.70 GRIN2D (0.51) ADAMTS4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23396830 0.70 AAK1 (0.41) —

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
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 — — EP disclosed
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