SCHEMBL8949099

SCHEMBL8949099

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.42
PRSS1 P07477 9/20 0.40
F2 P00734 4/20 0.40
PLAT P00750 2/20 0.40
PHGDH O43175 3/20 0.37
KLKB1 P03952 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NQO2 P16083 1/20 0.34
PLAU P00749 1/20 0.34

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 SCHEMBL8949237 0.90 F10 (0.37) F10PRSS1F2PLATPHGDH
SCHEMBL8949239 0.83 ITGB3 (0.45) F10
SCHEMBL8949398 0.81 ITGB3 (0.40) PRSS1F2PHGDHKLKB1
SCHEMBL8949063 0.81 ITGB3 (0.47) F10
SCHEMBL8949033 0.80 ITGB3 (0.51)
SCHEMBL8949139 0.79 KDM5B (0.39) F10PRSS1F2PHGDH
SCHEMBL8949188 0.79 ALDH1A1 (0.38) F10F2PHGDHALDH1A1
SCHEMBL8949128 0.78 PHGDH (0.35) PRSS1F2PHGDHKLKB1
SCHEMBL8949264 0.78 NR1H4 (0.45) F10PRSS1F2PLATPHGDH
SCHEMBL8949207 0.78 NR1H4 (0.41) F10PRSS1F2ALDH1A1HTT

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