SCHEMBL7322126

SCHEMBL7322126

CCCCCCCCCCCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
GALR3 O60755 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
PDE3B Q13370 11/20 0.57
PDE3A Q14432 11/20 0.57
ALDH1A1 P00352 3/20 0.57
SLFN12 Q8IYM2 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
THRB P10828 1/20 0.56
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.46
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TNNC1 P63316 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7312315 1.00 MAPT (0.64) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7320798 0.86 PDE3B (0.54) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7310488 0.86 PDE3B (0.54) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7314154 0.85 PDE3B (0.55) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL9878179 0.84 GALR3 (0.58) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL16156975 0.84 MAPT (0.71) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7315454 0.84 MAPT (0.71) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7314200 0.82 MAPT (0.64) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL22910062 0.82 MAPT (0.64) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7316019 0.81 GALR3 (0.68) MAPTGALR3SMN1; SMN2PDE3BPDE3A

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-4361563-A CARDIOTONIC, ANTITHROMBOTIC DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-11-30 US disclosed
EP-0008391-A1 Benzimidazoles, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1980-03-05 EP disclosed