SCHEMBL8639249

SCHEMBL8639249

CC(=O)c1cc(C(=O)NC(=N)N)ccc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.47
MKNK2 Q9HBH9 5/20 0.47
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
GAA P10253 1/20 0.42
NUDT1 P36639 1/20 0.42
SLC2A1 P11166 1/20 0.42
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
ATR Q13535 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8699436 0.80 KMO (0.60) MKNK1MKNK2F7F3MEN1
SCHEMBL8637967 0.79 KMO (0.59) MKNK1MKNK2GAASLC2A1CYP3A4
Hydrochloric Acid SCHEMBL8705713 0.79 KMO (0.58) MKNK1MKNK2F7F3MEN1
SCHEMBL8639260 0.78 MKNK1 (0.49) MKNK1MKNK2SLC2A1
Hydrochloric Acid SCHEMBL8645959 0.75 CSNK1A1 (0.46) F10ROCK2ABL1
SCHEMBL27714168 0.74 HDAC1 (0.61) F7F3GAAROCK2CYP2C9
SCHEMBL8446220 0.74 PLAU (0.48) F2F10ROCK2
SCHEMBL19229958 0.74 KMT2A (0.56) MKNK1MKNK2SLC2A1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL27467353 0.72 NAMPT (0.57) F2GAALMNANPC1RAB9A
SCHEMBL8690581 0.72 MKNK1 (0.43) MKNK1MKNK2LMNAABL1

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-5849775-A Substituted benzoylguanidines process for their preparation, their use as a medicament or diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5679712-A ANTIARRHYTHMIA AGENTS, TREATMENT OF CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed