SCHEMBL8949264

SCHEMBL8949264

Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)Nc2ccc(CC(=O)O)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.45
PLAU P00749 5/20 0.42
PLAT P00750 5/20 0.42
F2 P00734 9/20 0.42
F10 P00742 8/20 0.42
F7 P08709 6/20 0.42
F3 P13726 6/20 0.42
PHGDH O43175 1/20 0.42
PLG P00747 3/20 0.42
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
FFAR1 O14842 1/20 0.42
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41

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 SCHEMBL8949189 0.90 SMN1; SMN2 (0.44) PLAUPLATF2F10F7
SCHEMBL8949239 0.80 ITGB3 (0.45) F10ITGB3ITGA2B
SCHEMBL8949063 0.78 ITGB3 (0.47) F10ITGB3ITGA2B
SCHEMBL8949398 0.78 ITGB3 (0.40) F2F7F3PHGDHITGB3
SCHEMBL8949033 0.78 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8949099 0.78 F10 (0.42) PLAUPLATF2F10PHGDH
SCHEMBL8949188 0.76 ALDH1A1 (0.38) F2F10PHGDHITGB3ITGA2B
SCHEMBL8949128 0.76 PHGDH (0.35) F2PHGDHITGB3ITGA2BKLKB1
SCHEMBL8949139 0.74 KDM5B (0.39) F2F10PHGDHITGB3ITGA2B
SCHEMBL8949288 0.74 KDM4E (0.43) NR1H4PHGDHKDM4E

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-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed