SCHEMBL21728082

SCHEMBL21728082

CCOc1cccc(C#N)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
SSTR4 P31391 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 3/20 0.40
PKM P14618 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PABPC1 P11940 1/20 0.39
GRK6 P43250 1/20 0.39

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
SCHEMBL30283197 0.82 SMN1; SMN2 (0.51) ARALDH1A1LMNAMAPTMEN1
SCHEMBL5451 0.82 SMN1; SMN2 (0.51) ARALDH1A1LMNAMAPTMEN1
SCHEMBL21736886 0.82 SSTR4 (0.41) SSTR4ALDH1A1MAPTTSHRMAPK1
SCHEMBL1579020 0.81 AR (0.47) ARALDH1A1LMNAMAPTMEN1
SCHEMBL16955093 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7508041 0.81 AR (0.43) ARALDH1A1LMNAMAPTMEN1
SCHEMBL8564808 0.81 AR (0.43) ARALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL27764098 0.81 NPC1 (0.50) ARALDH1A1LMNAMAPTMEN1
SCHEMBL19999811 0.81 SSTR4 (0.40) SSTR4ALDH1A1MAPTTSHRMAPK1
SCHEMBL21736922 0.80 AR (0.43) ARALDH1A1LMNAMAPTMEN1

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
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed