SCHEMBL8803085

SCHEMBL8803085

CC(=O)c1sccc1-c1cccc(C(=O)N=C(N)N)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
SLC9A1 P19634 7/20 0.41
HTR2B P41595 6/20 0.40
HTR7 P34969 5/20 0.40
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
RORB Q92753 2/20 0.38

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
SCHEMBL8441632 0.83 BCAT2 (0.37) BCAT2SLC9A1BAZ2BBAZ2APKM
SCHEMBL8804547 0.80 HTR2B (0.43) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL1387943 0.79 SLC9A1 (0.40) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL8803075 0.78 BCAT2 (0.43) BCAT2BAZ2BBAZ2AMAPTPKM
SCHEMBL8439989 0.77 PKM (0.49) LMNAMAPTPKMRORB
SCHEMBL8803739 0.77 SLC9A1 (0.52) SLC9A1HTR2BHTR7
SCHEMBL7830859 0.76 SLC9A1 (0.46) SLC9A1
SCHEMBL8441628 0.74 BCAT2 (0.39) BCAT2BAZ2BBAZ2ARXFP1RORB
Hydrochloric Acid SCHEMBL7827618 0.73 HTR1A (0.48) SLC9A1HTR2BHTR7DRD2ADRA1D
Hydrochloric Acid SCHEMBL7828651 0.73 HTR2B (0.55) SLC9A1HTR2BHTR7DRD2ADRA1D

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
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed