SCHEMBL8949100

SCHEMBL8949100

N=C(N)c1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATR Q13535 3/20 0.47
HPGDS O60760 1/20 0.47
SMYD3 Q9H7B4 2/20 0.46
FYN P06241 1/20 0.45
USP30 Q70CQ3 1/20 0.45
ST14 Q9Y5Y6 5/20 0.44
F2 P00734 4/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
F10 P00742 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TTK P33981 1/20 0.43

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 SCHEMBL8949157 0.87 ST14 (0.43) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL9095484 0.85 MEN1 (0.61) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8863874 0.85 MEN1 (0.61) MEN1NPC1RAB9AKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8407664 0.84 MEN1 (0.60) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8949152 0.81 ST14 (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3638019 0.78 ATR (0.54) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2982015 0.76 HPGDS (0.66) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2982010 0.76 HPGDS (0.66) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1542889 0.76 HPGDS (0.66) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL15070386 0.75 NPC1 (0.56) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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