SCHEMBL10169817

SCHEMBL10169817

CCCCNc1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.50
CCNT1 O60563 1/20 0.50
CDK9 P50750 1/20 0.50
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
POLB P06746 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
XDH P47989 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8382142 0.80 CA12 (0.55) MAOBMAOACA12CA9POLB
SCHEMBL282766 0.77 CA12 (0.49) MAOBMAOACA12CA9POLB
SCHEMBL19187891 0.76 CA12 (0.41) MAOACA12CA9CA1CA2
SCHEMBL9826458 0.74 HDAC3 (0.52) MAOBMAOASMN1; SMN2MAPTLMNA
SCHEMBL8178252 0.73 CA12 (0.51) MAOBMAOACA12CA9POLB
SCHEMBL28155728 0.73 MAOB (0.49) MAOBMAOACA12CA9POLB
SCHEMBL5711170 0.73 CA12 (0.54) MAOBMAOACA12CA9POLB
Hydrochloric Acid SCHEMBL7803213 0.72 MAOB (0.48) MAOBMAOACA12CA9POLB
SCHEMBL8618928 0.71 CA12 (0.55) MAOBMAOACA12CA9POLB
SCHEMBL27818145 0.71 CA12 (0.43) MAOBMAOACA12CA9POLB

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
WO-2012032545-A1 PROCESSES FOR PREPARING DRONEDARONE AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 WO disclosed