SCHEMBL7573183

SCHEMBL7573183

Cc1cc(CP(=O)(O)O)cc2c1cc(C(=O)NC(=N)N)n2C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.36
PGK2 P07205 2/20 0.36
SLC9A1 P19634 1/20 0.34
F10 P00742 5/20 0.33
F2 P00734 3/20 0.33
PHGDH O43175 4/20 0.33
PTPRB P23467 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
KLKB1 P03952 1/20 0.30
KLK1 P06870 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6804622 0.89 THRA (0.33) SLC9A1F10F2PHGDHLMNA
SCHEMBL6797073 0.87 PHGDH (0.43) PHGDH
SCHEMBL6798620 0.84 ACP3 (0.32) PGK1PGK2
Bromide SCHEMBL6797834 0.84 ACP3 (0.31) PGK1PGK2
SCHEMBL6798602 0.81 THRA (0.36) SLC9A1F10F2PHGDHLMNA
SCHEMBL6798150 0.81 PHGDH (0.33) SLC9A1F10F2PHGDHITGB3
SCHEMBL6799000 0.77 PGK1 (0.36) PGK1PGK2SLC9A1F10F2
SCHEMBL6795651 0.75 HPGD (0.41) PTPRBALDH1A1
SCHEMBL6795254 0.74 LDHA (0.30)
SCHEMBL6794680 0.74 PHGDH (0.34) SLC9A1PHGDH

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-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP disclosed