SCHEMBL9974723

SCHEMBL9974723

Bc1ccc(Cn2ccc3cc(-c4cc(C(=O)OC)ccc4C)ccc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK10 P53779 1/20 0.39
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC11 Q96DB2 3/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
P2RX7 Q99572 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL9974724 0.91 HDAC8 (0.47) LMNAPOLBALDH1A1HDAC8HDAC6
SCHEMBL12284336 0.91 MAPK8 (0.43) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL9974659 0.90 P2RX7 (0.47) LMNAPOLBALDH1A1ROCK2ROCK1
SCHEMBL9974663 0.88 PTGS2 (0.45) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL9974704 0.85 MAPK14 (0.46) LMNAMEN1KMT2AALDH1A1
SCHEMBL2422151 0.84 MAPK14 (0.51) MAPK10
SCHEMBL2419000 0.82 LMNA (0.39) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL2417694 0.82 LMNA (0.46) LMNAPOLBHDAC8HDAC6HDAC11
SCHEMBL2419798 0.80 GRIK1 (0.44) LMNAMEN1KMT2AROCK2ROCK1
SCHEMBL2416357 0.80 MEN1 (0.42) LMNAMEN1KMT2AALDH1A1MAPK10

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