SCHEMBL9974671

SCHEMBL9974671

Bc1ccc2c(=O)n(Cc3ccccc3)cc(C(=O)OC)c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.59
▸ BRD4 O60885 6/20 0.55
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ FSCN1 Q16658 1/20 0.46
▸ MAPK8 P45983 5/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ MAPK10 P53779 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
SCHEMBL12284564 0.86 KDM4E (0.59) KDM4EBRD4ALDH1A1MAPK8MAPK10
SCHEMBL9617844 0.77 KDM4E (0.67) KDM4EBRD4ALDH1A1LMNAFSCN1
SCHEMBL15241737 0.75 BRD4 (0.54) KDM4EBRD4ALDH1A1LMNAMAPK10
SCHEMBL9974702 0.75 MAPK10 (0.60) KDM4EBRD4ALDH1A1MAPK8PDE10A
SCHEMBL2430574 0.75 NR4A2 (0.72) KDM4EALDH1A1LMNANR4A2
SCHEMBL18584511 0.74 ADRA1D (0.54) KDM4EBRD4ALDH1A1MAPK8MAPK10
SCHEMBL1641959 0.73 KDM4E (0.48) KDM4EBRD4ALDH1A1LMNANR4A2
SCHEMBL2419642 0.73 LMNA (0.52) KDM4EBRD4LMNAFSCN1MAPK8
SCHEMBL8358799 0.72 NR4A2 (0.53) ALDH1A1LMNANR4A2
SCHEMBL28463880 0.72 LMNA (0.73) LMNA

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-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 — — EP disclosed
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