SCHEMBL22746005

SCHEMBL22746005

Cc1cnc(NCc2ccc(C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
POLB P06746 2/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CRHR1 P34998 1/20 0.45
CNR1 P21554 1/20 0.45
CCND3 P30281 1/20 0.44
CDK6 Q00534 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL11564873 0.86 ALDH1A1 (0.46) HDAC4HDAC1HDAC6POLBTP53
SCHEMBL3635146 0.81 L3MBTL1 (0.40) HDAC4HDAC1HDAC6POLBTP53
SCHEMBL11566064 0.81 HDAC4 (0.50) HDAC4MEN1KMT2A
SCHEMBL24599929 0.76 KDR (0.53) PDE2AHDAC1HDAC6EGFRGAA
SCHEMBL29019891 0.75 PDE2A (0.56) PDE2AHDAC4HDAC1HDAC6EGFR
SCHEMBL30394825 0.75 PDE2A (0.56) PDE2AHDAC4HDAC1HDAC6EGFR
SCHEMBL12037997 0.71 PGK1 (0.42) POLBL3MBTL1CRHR1MEN1KMT2A
SCHEMBL31240742 0.70 POLB (0.55) PDE2AHDAC1HDAC6POLBEGFR
SCHEMBL3370447 0.69 L3MBTL1 (0.63) POLBGAAMAPTL3MBTL1MEN1
SCHEMBL30149975 0.69 L3MBTL1 (0.63) POLBGAAMAPTL3MBTL1MEN1

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-2020241614-A1 PYRIDINIUM SALTS AND PEST CONTROL AGENT 日本曹達株式会社 2020-12-03 WO disclosed