SCHEMBL8949270

SCHEMBL8949270

N=C(N)c1ccc(-c2n[nH]c(=O)c(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 10/20 0.43
F2 P00734 9/20 0.43
PRSS1 P07477 6/20 0.43
PRSS2 P07478 6/20 0.43
PRSS3 P35030 6/20 0.43
F10 P00742 3/20 0.43
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLG P00747 2/20 0.38
SMYD3 Q9H7B4 2/20 0.37
MAPK14 Q16539 1/20 0.37
MAPK8 P45983 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 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
SCHEMBL8949135 0.83 ST14 (0.42) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949335 0.81 MAPK8 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9095484 0.79 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8863874 0.79 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8407664 0.78 MEN1 (0.60) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949041 0.74 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949022 0.72 F2 (0.40) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949165 0.71 GSK3B (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8407562 0.71 F2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949100 0.71 MEN1 (0.48) 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 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