SCHEMBL7323871

SCHEMBL7323871

CNCC(O)COc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
KDM4E B2RXH2 2/20 0.50
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
KDM1A O60341 1/20 0.45
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
XDH P47989 1/20 0.44
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
P2RY12 Q9H244 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 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
SCHEMBL7328768 0.83 KCNH2 (0.59) KCNH2KDM4ECA12CA9KDM1A
SCHEMBL7328762 0.83 KCNH2 (0.59) KCNH2KDM4ECA12CA9KDM1A
SCHEMBL7374246 0.83 KCNH2 (0.59) KCNH2KDM4ECA12CA9KDM1A
SCHEMBL7327468 0.82 NPC1 (0.57) KCNH2CA12CA9KDM1AADRB2
SCHEMBL7330564 0.82 KMT2A (0.51) KCNH2MEN1ALDH1A1TSHRKMT2A
SCHEMBL7330491 0.82 RAB9A (0.49) KCNH2KDM1AADRB2ADRB1RAB9A
SCHEMBL7323740 0.81 KCNH2 (0.46) KCNH2KDM4EKDM1AADRB2MEN1
Hydrochloric Acid SCHEMBL7379169 0.81 KMT2A (0.50) KCNH2KDM4EMEN1ALDH1A1TSHR
SCHEMBL7323728 0.81 KCNH2 (0.46) KCNH2KDM4EKDM1AADRB2MEN1
Hydrochloric Acid SCHEMBL6649070 0.81 KMT2A (0.50) KCNH2KDM4EMEN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed