SCHEMBL19558573

SCHEMBL19558573

Cc1ccnc(C(C)CC(C)(C)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
NOS2 P35228 2/20 0.37
MEN1 O00255 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
HRH1 P35367 1/20 0.34
CXCR4 P61073 1/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
PLAU P00749 1/20 0.32
MAPT P10636 1/20 0.31
FDPS P14324 1/20 0.31
AAK1 Q2M2I8 3/20 0.31

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
SCHEMBL13991779 0.80 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL20342497 0.80 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL14670941 0.80 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL17827971 0.77 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL17828007 0.77 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL18672385 0.75 UHRF1 (0.42) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL26271662 0.74 UHRF1 (0.45) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL5545976 0.74 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL29453940 0.73 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL179530 0.73 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KDM4E

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-9812643-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2017-11-07 US disclosed