SCHEMBL8945826

SCHEMBL8945826

CNC(CC(c1ccccc1)C(C)(C)C(N)=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.40
GSK3B P49841 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
ROCK2 O75116 4/20 0.40
RPS6KA5 O75582 3/20 0.40
AKT1 P31749 3/20 0.40
NEK4 P51957 3/20 0.40
PRKCD Q05655 3/20 0.40
PRKG2 Q13237 3/20 0.40
PRKG1 Q13976 3/20 0.40
PKN2 Q16513 3/20 0.40
GSK3A P49840 3/20 0.40
MAPK13 O15264 2/20 0.40
MAP4K4 O95819 2/20 0.40
PRKCG P05129 2/20 0.40
CDK1 P06493 2/20 0.40
RPS6KB1 P23443 2/20 0.40
CDK2 P24941 2/20 0.40
MAPK1 P28482 2/20 0.40
AKT2 P31751 2/20 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
SCHEMBL8945932 0.88 ITGB3 (0.39) LMNAHTTSMN1; SMN2EPHX2
SCHEMBL8945850 0.83 ALDH1A1 (0.43) LMNAOPRK1
SCHEMBL8945890 0.81 ALOX5 (0.37) RPS6KB1OPRK1RIPK1
SCHEMBL8945911 0.81 ALOX5 (0.36) LMNASMN1; SMN2OPRK1
SCHEMBL8945937 0.80 ALOX5 (0.36) RPS6KB1LMNASMN1; SMN2OPRK1RIPK1
Hydrochloric Acid SCHEMBL8946104 0.78 ALOX5 (0.34) RPS6KB1LMNASMN1; SMN2OPRK1RIPK1
SCHEMBL8945873 0.76 ALOX5 (0.37) OPRK1
SCHEMBL27574175 0.68 KMT2A (0.41) MAPK1LMNASMN1; SMN2MMP9RIPK1
SCHEMBL8945990 0.68 ALOX5 (0.36) RIPK1
SCHEMBL8945821 0.68 KMT2A (0.51) ROCK1GSK3BCLK4ROCK2RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed