SCHEMBL11820122

SCHEMBL11820122

O=C(O)c1cnc2ccc(C3CCCCCC3)cc2c1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.56
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DHODH Q02127 1/20 0.47
EGLN1 Q9GZT9 10/20 0.46
TBK1 Q9UHD2 4/20 0.44
KMO O15229 1/20 0.43
IKBKE Q14164 1/20 0.42
SLC22A12 Q96S37 1/20 0.42

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
SCHEMBL11819344 1.00 ACMSD (0.56) ACMSDKDM4EGLAHTTKMT2A
SCHEMBL11816217 1.00 ACMSD (0.56) ACMSDKDM4EGLAHTTKMT2A
SCHEMBL11815948 0.99 ACMSD (0.55) ACMSDKDM4EGLAHTTKMT2A
SCHEMBL11814299 0.90 ACMSD (0.56) ACMSDKDM4EGLAHTTKMT2A
SCHEMBL11825260 0.88 ACMSD (0.44) ACMSDKMT2AL3MBTL1EGLN1
SCHEMBL11813461 0.86 ACMSD (0.51) ACMSDKDM4EGLAHTTKMT2A
SCHEMBL11816576 0.82 MAPK1 (0.44) KDM4EKMT2AL3MBTL1
SCHEMBL11816190 0.82 MAPK1 (0.44) KDM4EKMT2AL3MBTL1
SCHEMBL11819779 0.82 MAPK1 (0.44) KDM4EKMT2AL3MBTL1
SCHEMBL11819697 0.81 MAPK1 (0.45) KDM4EKMT2AL3MBTL1

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
US-3960868-A Derivatives of 6,7 or 8 cycloalkyl 4-oxo quinoline 3 carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-06-01 US disclosed