SCHEMBL8768306

SCHEMBL8768306

CC(C)c1ccc(C(=O)NC(=N)N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCAT2 O15382 1/20 0.39
SCN5A Q14524 2/20 0.39
SCN2A Q99250 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
SCN9A Q15858 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
CA1 P00915 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
Hydrochloric Acid SCHEMBL8503949 0.99 HPGD (0.41) HPGDPLAUKDM4EMEN1KMT2A
SCHEMBL6681402 0.81 BCAT2 (0.57) HPGDKDM4EMEN1KMT2ABCAT2
SCHEMBL8766934 0.80 PLAU (0.39) PLAUSCN5ASCN2A
SCHEMBL25665748 0.80 TAS1R3 (0.41) PLAUSCN5ASCN2ATAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8446579 0.80 SCN5A (0.40) PLAUMEN1KMT2ASCN5ASCN2A
SCHEMBL10105619 0.79 PARP1 (0.44) HPGDKDM4EBCAT2SMN1; SMN2LMNA
Cariporide SCHEMBL39639 0.79 SLC9A1 (0.61) PLAUSCN5ASCN2ACA1CA2
Hydrochloric Acid SCHEMBL8504318 0.79 PLAU (0.38) PLAUSCN5ASCN2A
Hydrochloric Acid SCHEMBL8816752 0.78 SLC9A1 (0.47) PLAUCA1CA2
Cariporide SCHEMBL1229789 0.78 SLC9A1 (0.60) PLAUSCN5ASCN2ACA1CA2

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-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 EP claimed