SCHEMBL28065372

SCHEMBL28065372

O=c1c2cc(Cl)ccc2[nH]c2cc(O)cc(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ WEE1 P30291 6/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CHEK1 O14757 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ DAO P14920 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL384204 0.88 EGFR (0.48) EGFRSRCGRIN2DGRIN3BGRIN1
SCHEMBL382594 0.80 GAA (0.58) LMNAGAAHPGDMEN1POLB
SCHEMBL31490922 0.78 LMNA (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5836912 0.76 NQO1 (0.46) EGFRSRCGRIN2DGRIN3BGRIN1
SCHEMBL29354683 0.75 LMNA (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL276018 0.75 LMNA (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29586622 0.75 LMNA (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16852336 0.74 PBRM1 (0.49) EGFRSRCWEE1CHEK1GAA
SCHEMBL14543826 0.72 PARP1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5413220 0.71 CDK4 (0.49) LMNAGAAMEN1POLBCASP6

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-104610271-B 12-(2-fluorophenyl)-benzo [h] [1,3] methylene-dioxy [4,5-b] acridine-10,11-diketone and synthetic method thereof XINXIANG UNIVERSITY (CN) 2016-05-11 — — CN disclosed
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