SCHEMBL9452004

SCHEMBL9452004

O=[C]c1nc2cnccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
DAO P14920 3/20 0.38
ACHE P22303 1/20 0.35
PARP1 P09874 1/20 0.35
KDM4C Q9H3R0 8/20 0.35
KDM5A P29375 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LDHA P00338 1/20 0.33
EPHX2 P34913 1/20 0.33
FEN1 P39748 1/20 0.33
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3147724 0.85 ALDH1A1 (0.46) PDE3BPDE3AKDM4EMETAP2ALDH1A1
SCHEMBL14427087 0.81 PSMB8 (0.49) PDE3BPDE3ADAOACHEKDM5A
SCHEMBL4448533 0.75 ALDH1A1 (0.42) PDE3BPDE3ADAOACHEPARP1
SCHEMBL222527 0.75 ALDH1A1 (0.54) KDM4EALDH1A1PKM
SCHEMBL2143546 0.71 ALDH1A1 (0.44) PDE3BPDE3ADAOACHEKDM4C
SCHEMBL4059259 0.71 NUDT1 (0.55) PDE3BPDE3ADAOACHEMAPT
SCHEMBL30678618 0.71 NUDT1 (0.55) PDE3BPDE3ADAOACHEMAPT
SCHEMBL3987647 0.71 PDE3B (0.41) PDE3BPDE3ADAOACHEPARP1
SCHEMBL17950072 0.71 PDE3B (0.41) PDE3BPDE3ADAOACHEPARP1
SCHEMBL562793 0.71 DAO (0.44) PDE3BPDE3ADAOACHEPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229386-A Anticoagulants, hypotensive agents, antiallergens, antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-20 US disclosed
US-5145860-A Anticoagulants, vasodilators, antiinflammatory, antiallergens, enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed
EP-0388909-A2 Thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-26 EP disclosed