SCHEMBL7701182

SCHEMBL7701182

NC(N)=NC(=O)C1=Cc2cccc(C(=O)O)c2OCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
HTR2B P41595 2/20 0.34
HTR7 P34969 1/20 0.34
SLC9A1 P19634 7/20 0.33
SLC9A5 Q14940 1/20 0.32
SLC9A2 Q9UBY0 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PLAU P00749 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL7702986 0.84 PARP1 (0.38) PARP1HTR2BHTR7SLC9A1
SCHEMBL7698900 0.84 PARP1 (0.44) PARP1XDHSLC22A12
Hydrochloric Acid SCHEMBL7700819 0.84 PARP1 (0.38) PARP1HTR2BHTR7SLC9A1SLC9A5
SCHEMBL7383369 0.84 SLC9A1 (0.39) PARP1HTR2BHTR7SLC9A1SLC9A5
Hydrochloric Acid SCHEMBL7697560 0.83 PARP1 (0.37) PARP1HTR2BHTR7
Hydrochloric Acid SCHEMBL7702267 0.81 PARP1 (0.36) PARP1HTR2BHTR7
SCHEMBL7381905 0.81 SLC9A1 (0.44) PARP1SLC9A1SLC9A5SLC9A2
Hydrochloric Acid SCHEMBL7700510 0.80 KDM4E (0.47) PARP1SLC9A1
SCHEMBL7702076 0.80 SLC9A1 (0.38) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL7694486 0.80 SLC9A1 (0.35) PARP1HTR2BHTR7SLC9A1SLC9A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed