SCHEMBL18796660

SCHEMBL18796660

Cc1[nH]c(=O)c(Cc2cccc(Br)c2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.55
▸ PDE3A Q14432 6/20 0.55
▸ HCAR2 Q8TDS4 1/20 0.45
▸ IL4I1 Q96RQ9 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ SLC26A3 P40879 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ NR3C1 P04150 1/20 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
SCHEMBL18820260 0.86 PDE3B (0.61) PDE3BPDE3AIL4I1KDM4EGAA
SCHEMBL18796736 0.85 PDE3B (0.77) PDE3BPDE3AKDM4EGAAMEN1
SCHEMBL18796682 0.80 PDE10A (0.51) PDE3BPDE3AIL4I1
SCHEMBL18796699 0.79 PDE3B (0.54) PDE3BPDE3AKDM4EHPGDHSD17B10
SCHEMBL18796704 0.78 PDE3B (0.53) PDE3BPDE3AKDM4EHPGDHSD17B10
SCHEMBL18796709 0.77 PDE3B (0.66) PDE3BPDE3AIL4I1KDM4EHPGD
SCHEMBL18796747 0.76 PDE3B (0.82) PDE3BPDE3AKDM4EALDH1A1
SCHEMBL28045795 0.75 HCAR2 (0.48) HCAR2MEN1KMT2A
SCHEMBL11818397 0.75 HCAR2 (0.50) HCAR2KDM4EMEN1KMT2APTGER1
SCHEMBL11820882 0.75 HCAR2 (0.50) HCAR2KDM4EHPGDMEN1KMT2A

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-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 — — WO disclosed
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