SCHEMBL9017004

SCHEMBL9017004

N=C(N)NC(=O)c1cc(Br)c(Br)cc1N

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.31
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
PLAT P00750 2/20 0.31
PLG P00747 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
DRD1 P21728 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
DRD3 P35462 1/20 0.30
PYGL P06737 1/20 0.30

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
Hydrochloric Acid SCHEMBL8742141 0.98 F2 (0.31) PLAUF2F10PLATPLG
SCHEMBL31716233 0.74 IKBKB (0.42) PLAUKDM4EGLA
Hydrochloric Acid SCHEMBL8742164 0.73 KDM4E (0.58) KDM4EGLA
SCHEMBL8742203 0.73 GSK3B (0.47) PLAUF2F10PLATPLG
Hydrochloric Acid SCHEMBL9016995 0.72 CA1 (0.51)
Hydrochloric Acid SCHEMBL9568563 0.72 CA1 (0.51)
Hydrochloric Acid SCHEMBL9017005 0.72 PLAU (0.44) PLAUF2F10PLATPLG
Hydrochloric Acid SCHEMBL8742115 0.71 GSK3B (0.46) PLAUF2F10PLATPLG
Hydrochloric Acid SCHEMBL9016999 0.71 FADS1 (0.54) PLAUF2F10PLATPLG
SCHEMBL8634908 0.70 RAB9A (0.50) KDM4EPTGS1

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
EP-0690048-A1 Ortho-amino substituted benzoylguanidines, process for their preparation, their use as medicine or diagnostic and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-03 EP disclosed