SCHEMBL367539

SCHEMBL367539

CCCCOC(=O)c1c2ccc(OCC#N)cc2n2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 5/20 0.57
KDM4E B2RXH2 5/20 0.57
MAPT P10636 5/20 0.57
SAE1 Q9UBE0 2/20 0.57
UBA2 Q9UBT2 2/20 0.57
PABPC1 P11940 2/20 0.57
APAF1 O14727 1/20 0.57
G6PD P11413 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 2/20 0.52
PSEN1 P49768 6/20 0.51
PSEN2 P49810 6/20 0.51
APH1B Q8WW43 6/20 0.51
NCSTN Q92542 6/20 0.51
APH1A Q96BI3 6/20 0.51

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
SCHEMBL366391 0.98 KMT2A (0.55) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366243 0.95 ALDH1A1 (0.58) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365445 0.92 ALDH1A1 (0.52) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366793 0.92 KMT2A (0.52) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL367487 0.92 KMT2A (0.52) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365358 0.91 ALDH1A1 (0.68) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL364882 0.91 KMT2A (0.52) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365510 0.90 ALDH1A1 (0.58) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366163 0.90 KMT2A (0.55) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366274 0.90 ALDH1A1 (0.54) KMT2AALDH1A1MEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed