SCHEMBL8949191

SCHEMBL8949191

COC(=O)NC(=N)c1ccc(-c2cc(C(=O)N(C)[C@H]3CC[C@H](C(=O)OCc4ccccc4)CC3)c(=O)n(C)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
KAT2B Q92831 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MASP2 O00187 1/20 0.34
PDE10A Q9Y233 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL8949158 0.88 EGLN1 (0.34) PDE10AADORA2AADORA1MEN1KMT2A
Phenylmethanesulfonic Acid SCHEMBL9571685 0.84 PIK3CA (0.37) PIK3CAMTORADORA2AADORA1
SCHEMBL8949280 0.82 F10 (0.38) SYKPIK3CAMTORGAASMN1; SMN2
SCHEMBL8949284 0.79 F2 (0.38) PDE10A
SCHEMBL8949279 0.79 F2 (0.38) PDE10A
Hydrochloric Acid SCHEMBL8949003 0.79 F2 (0.37) PDE10A
SCHEMBL8949134 0.75 ITGB3 (0.38) PDE10AADORA2AADORA1
SCHEMBL8949056 0.74 CNR2 (0.41) KAT2BMEN1KMT2ASMN1; SMN2
SCHEMBL8949258 0.74 CNR2 (0.41) KAT2BMEN1KMT2ASMN1; SMN2
SCHEMBL8948977 0.72 FAAH (0.41) MEN1KMT2A

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