SCHEMBL8949341

SCHEMBL8949341

COc1nnc(-c2ccc(C(=N)N)cc2)cc1C(=O)N[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.45
ST14 Q9Y5Y6 11/20 0.43
F2 P00734 9/20 0.43
PRSS1 P07477 8/20 0.43
PRSS2 P07478 7/20 0.43
PRSS3 P35030 7/20 0.43
F10 P00742 2/20 0.43
PLG P00747 2/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TMPRSS15 P98073 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37

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
SCHEMBL9263770 0.92 F2 (0.43) KLK7ST14F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL8949397 0.91 F2 (0.42) KLK7ST14F2PRSS1PRSS2
SCHEMBL8949085 0.90 MEN1 (0.47) KLK7ST14F2PRSS1PRSS2
SCHEMBL8949023 0.85 ST14 (0.41) KLK7ST14F2PRSS1PRSS2
SCHEMBL8949409 0.81 ITGB3 (0.41) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949165 0.81 GSK3B (0.47) KLK7ST14F2PRSS1PRSS2
SCHEMBL8949422 0.80 MEN1 (0.41) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8410563 0.80 KDM1A (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949089 0.79 ITGB3 (0.40) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949406 0.79 MAPK14 (0.43) ST14F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US claimed
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