SCHEMBL6599427

SCHEMBL6599427

Cc1c(C(=O)N=C(N)N)cnn1-c1cccc2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.71
SLC9A2 Q9UBY0 4/20 0.58
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 2/20 0.47
PARP1 P09874 1/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MALT1 Q9UDY8 1/20 0.37
TGFBR1 P36897 1/20 0.37
WNT3A P56704 1/20 0.36
NPC1 O15118 2/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
USP2 O75604 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 SCHEMBL6315678 0.99 SLC9A1 (0.70) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6215910 0.86 SLC9A1 (0.53) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6218848 0.86 SLC9A1 (0.53) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6212911 0.84 SLC9A1 (0.52) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6311466 0.83 ALDH1A1 (0.53) SLC9A1ALDH1A1PARP1MAPTNPSR1
SCHEMBL4451940 0.83 SLC9A1 (0.73) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6263957 0.82 SLC9A1 (0.72) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6314142 0.82 SLC9A1 (0.98) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6314615 0.82 SLC9A1 (0.74) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6312649 0.81 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1

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-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed