SCHEMBL20909893

SCHEMBL20909893

Cc1ccnc(C(C)(C)CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
PLAU P00749 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 4/20 0.36
F2 P00734 1/20 0.34
FDPS P14324 1/20 0.33

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
SCHEMBL13998515 0.82 UHRF1 (0.45) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL13806007 0.81 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL21201306 0.79 ALDH1A1 (0.39) CCR5KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL22313139 0.79 NUDT1 (0.31) SMN1; SMN2LMNAALDH1A1
SCHEMBL26715466 0.79 UHRF1 (0.42) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL29608524 0.78 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL129055 0.78 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL29508711 0.77 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL179285 0.77 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL20890556 0.77 MEN1 (0.34) KMT2AMEN1LMNAALDH1A1

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-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed