SCHEMBL6970508

SCHEMBL6970508

[CH2]NC(=O)c1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.50
POLB P06746 3/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.43
KAT6A Q92794 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
OPRK1 P41145 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHB3 P54753 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL28113677 0.81 PPIA (0.50) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL21906758 0.81 PPIA (0.50) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL2728048 0.81 POLB (0.67) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL2164376 0.79 PPIA (0.44) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL28901051 0.78 LMNA (0.70) POLBLMNAALDH1A1MEN1MAPT
SCHEMBL515447 0.78 PPIA (0.43) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL31000747 0.77 PPIA (0.45) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL2913776 0.77 ALDH1A1 (0.45) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL6276445 0.77 PPIA (0.45) PPIAPOLBLMNAALDH1A1KAT6A
SCHEMBL20324936 0.77 ALDH1A1 (0.69) PPIAPOLBLMNAALDH1A1MEN1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed