SCHEMBL4439367

SCHEMBL4439367

NC(=O)C(Cl)c1noc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
MAOB P27338 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.38
TP53 P04637 4/20 0.38
RAB9A P51151 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL5294295 0.75 HIF1A (0.45) HIF1ALMNACA12CA1CA2
SCHEMBL11202946 0.73 HIF1A (0.46) HIF1ALMNACA12CA1CA2
SCHEMBL692254 0.72 HIF1A (0.45) HIF1ALMNACA12CA1CA2
SCHEMBL14185644 0.72 HIF1A (0.45) HIF1ALMNACA12CA1CA2
SCHEMBL5732245 0.71 CA2 (0.51) HIF1ALMNACA12CA1CA2
SCHEMBL24796169 0.70 SORD (0.43) HIF1ALMNACA12CA1CA2
SCHEMBL2907438 0.70 HIF1A (0.58) HIF1ALMNACA12CA1CA2
SCHEMBL29580724 0.70 HIF1A (0.58) HIF1ALMNACA12CA1CA2
SCHEMBL13680770 0.70 CA12 (0.42) HIF1ALMNACA12CA1CA2
SCHEMBL8664394 0.70 SORD (0.43) HIF1ALMNACA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121137-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed