SCHEMBL9853003

SCHEMBL9853003

CCC(N[C]=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
RIPK1 Q13546 2/20 0.36
NR3C2 P08235 1/20 0.35
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL1549012 0.72 HDAC3 (0.45) KCNN4HDAC1HDAC3HDAC4HDAC7
SCHEMBL27948873 0.72 KCNN4 (0.61) KCNN4LMNAHTTL3MBTL1NR3C2
SCHEMBL3114470 0.72 HDAC3 (0.45) KCNN4HDAC1HDAC3HDAC4HDAC7
SCHEMBL28262161 0.72 KCNN4 (0.45) KCNN4NR3C2TAAR1KIF11
SCHEMBL28397743 0.72 CYP2C19 (0.42) KCNN4LMNAHTTL3MBTL1HDAC1
SCHEMBL9853013 0.72 KCNN4 (0.41) KCNN4LMNAHTTL3MBTL1HDAC1
SCHEMBL2074396 0.72 KCNN4 (0.48) KCNN4LMNAHTTL3MBTL1HDAC1
SCHEMBL28778295 0.71 CYP2C19 (0.46) KCNN4LMNAHTTL3MBTL1HDAC1
SCHEMBL9318575 0.71 KCNN4 (0.44) KCNN4LMNAALDH1A1TAAR1CYP3A4
SCHEMBL3665471 0.69 HDAC3 (0.47) KCNN4LMNAHTTL3MBTL1HDAC1

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-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed