SCHEMBL9686080

SCHEMBL9686080

Cc1c(O)cccc1C1=NNC(=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
PDE3A Q14432 10/20 0.42
PDE3B Q13370 9/20 0.42
PDE4B Q07343 6/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MAPT P10636 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE5A O76074 1/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL11637547 0.84 SMN1; SMN2 (0.51) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL11657483 0.84 SMN1; SMN2 (0.59) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL7298081 0.83 SMN1; SMN2 (0.50) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL11634656 0.82 SMN1; SMN2 (0.49) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL11634644 0.81 PDE3A (0.47) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL11737729 0.77 PDE3A (0.48) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL11702816 0.75 SMN1; SMN2 (0.42) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL20705949 0.74 SMN1; SMN2 (0.51) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL11254453 0.74 SMN1; SMN2 (0.50) SMN1; SMN2PDE3APDE3BPDE4BPDE4A
SCHEMBL7300917 0.74 POLB (0.48) SMN1; SMN2PDE3APDE3BPDE4BPDE4A

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
US-4082843-A 3-(3-(3-Substituted amino-2-hydroxypropoxy)phenyl)-6-hydrazino pyridazines and their use as vasodilators and β-adrenergic blocking agents SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-04-04 US disclosed