SCHEMBL16246778

SCHEMBL16246778

CC(=O)CC(=O)Nc1nc(C)c(C#N)cc1C#C[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 6/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK8 P45983 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
SCHEMBL17221745 0.87 KDM4E (0.50) KDM4ESMN1; SMN2HPGDPOLBHTT
SCHEMBL16246683 0.72 ALDH1A1 (0.44) KDM4ESMN1; SMN2MAPTHPGDPOLB
SCHEMBL4068566 0.70 ALDH1A1 (0.35) KDM4ESMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL16246739 0.70 KDM4E (0.54) KDM4ESMN1; SMN2HPGDPOLBHTT
SCHEMBL16246665 0.68 KDM4E (0.41) KDM4ESMN1; SMN2MAPTHPGDHTT
SCHEMBL4770176 0.68 GAA (0.47) KDM4ESMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL2011637 0.63 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31590828 0.62 POLB (0.54) KDM4EMAPTPOLBALDH1A1PKM
SCHEMBL1564710 0.62 DYRK1A (0.32) KDM4ESMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL1564798 0.62 IDO1 (0.33) ALDH1A1MAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 EP disclosed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 WO disclosed