SCHEMBL7378034

SCHEMBL7378034

CCCCS(=O)(=O)Nc1ccc(-c2cc3[nH]c(=O)[nH]c3nc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.55
PDE3A Q14432 5/20 0.55
KIT P10721 4/20 0.49
SGK1 O00141 1/20 0.47
PDE5A O76074 2/20 0.46
PDE1A P54750 2/20 0.46
PDE1B Q01064 2/20 0.46
PDE1C Q14123 2/20 0.46
BRD4 O60885 2/20 0.45
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
PLK4 O00444 2/20 0.43
DAPK3 O43293 2/20 0.43
JAK2 O60674 2/20 0.43
CDK1 P06493 2/20 0.43
RPS6KB1 P23443 2/20 0.43
CDK2 P24941 2/20 0.43
TYK2 P29597 2/20 0.43
CLK2 P49760 2/20 0.43
JAK3 P52333 2/20 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
SCHEMBL7382397 0.96 PDE3B (0.53) PDE3BPDE3AKITSGK1PDE5A
SCHEMBL7388786 0.88 PDE3B (0.51) PDE3BPDE3AKITSGK1PDE5A
SCHEMBL7377905 0.83 PDE3B (0.64) PDE3BPDE3AKITBRD4HPGD
SCHEMBL7382710 0.78 PDE3B (0.55) PDE3BPDE3AHPGDLMNAKDM4E
SCHEMBL7387266 0.78 MEN1 (0.59) PDE3BPDE3AKITHPGDLMNA
SCHEMBL7383419 0.77 PDE3B (0.70) PDE3BPDE3A
SCHEMBL7375384 0.74 PDE3B (0.55) PDE3BPDE3AKITPDE5APDE1A
SCHEMBL7386282 0.73 PDE3B (0.72) PDE3BPDE3A
SCHEMBL7382885 0.73 PDE3B (0.72) PDE3BPDE3A
SCHEMBL7384334 0.73 PDE3B (0.64) PDE3BPDE3AHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963561-A Phosphodiesterase inhibitors STERLING DRUG INC. (US) 1990-10-16 US claimed
US-5010086-A Enzyme inhibitor for treating congestive heart failure or hypertension in mammals STERLING DRUG INC. (US) 1991-04-23 US disclosed