SCHEMBL21564583

SCHEMBL21564583

CNCCCc1c[nH]c(=O)c(N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
PDE4B Q07343 1/20 0.36
ZAP70 P43403 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STK4 Q13043 3/20 0.35
STK3 Q13188 3/20 0.35
LRRK2 Q5S007 5/20 0.35
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL21564765 0.89 NOS3 (0.34)
SCHEMBL21564575 0.86 HRH4 (0.40) TSHR
SCHEMBL21564662 0.83 NOS3 (0.31)
SCHEMBL21564770 0.79 LMNA (0.41) RAF1BRAFLMNAMAPTKMT2A
SCHEMBL23258796 0.76 KDM4E (0.38) LMNAMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL21553051 0.76 KDM1A (0.44) STK4STK3LRRK2
SCHEMBL23258177 0.73 ALDH1A1 (0.49) RAF1BRAFLMNAMAPTKMT2A
SCHEMBL26032668 0.72 HRH3 (0.36) PDE4BLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL28714095 0.72 NOS3 (0.47) LMNAMAPTKMT2AMEN1
SCHEMBL21564457 0.71 HRH4 (0.41) ZAP70SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019217972-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2019-11-14 WO disclosed