SCHEMBL8682004

SCHEMBL8682004

CC(N)COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.42
AKT1 P31749 2/20 0.42
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PHKG2 P15735 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MARK3 P27448 1/20 0.42

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
SCHEMBL8682006 1.00 PNMT (0.50) PNMTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16455000 0.84 HTR2A (0.42) KMT2ASMN1; SMN2KCNH2
SCHEMBL28001062 0.81 LMNA (0.53) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL29337600 0.80 MRGPRX4 (0.45) KMT2ASMN1; SMN2AKT1CDC7DAPK3
SCHEMBL8607930 0.79 SCN4A (0.58) LMNAKCNH2SCN4A
SCHEMBL8798650 0.78 KDM4E (0.46) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL17186976 0.77 KDM4E (0.43) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9053577 0.76 SCN4A (0.57) LMNAKCNH2SCN4A
SCHEMBL22379972 0.75 SCN4A (0.48) LMNAKCNH2AKT1CDC7DAPK3
SCHEMBL10701351 0.75 KMT2A (0.56) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA

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-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed