SCHEMBL8949152

SCHEMBL8949152

N=C(N)c1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)cnn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 11/20 0.47
F2 P00734 9/20 0.47
PRSS1 P07477 6/20 0.47
PRSS2 P07478 6/20 0.47
PRSS3 P35030 6/20 0.47
F10 P00742 2/20 0.47
PLG P00747 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
ATR Q13535 1/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40

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
SCHEMBL8949194 0.89 F2 (0.46) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949030 0.88 F2 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8863874 0.83 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9095484 0.83 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8407664 0.81 MEN1 (0.60) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949100 0.81 MEN1 (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949023 0.79 ST14 (0.41) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949341 0.79 KLK7 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949409 0.77 ITGB3 (0.41) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949085 0.77 MEN1 (0.47) 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 5 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
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP 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