SCHEMBL367541

SCHEMBL367541

CCCCS(=O)(=O)NC(=O)c1c2ccc(OCC#N)cc2n2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.46
PSEN2 P49810 9/20 0.46
APH1B Q8WW43 9/20 0.46
NCSTN Q92542 9/20 0.46
APH1A Q96BI3 9/20 0.46
PSENEN Q9NZ42 9/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 5/20 0.46
SAE1 Q9UBE0 2/20 0.46
UBA2 Q9UBT2 2/20 0.46
PABPC1 P11940 2/20 0.46
APAF1 O14727 1/20 0.46
G6PD P11413 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL364893 0.95 KMT2A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366343 0.92 ALDH1A1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364827 0.87 KMT2A (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367542 0.86 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365498 0.85 KMT2A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367073 0.84 ALDH1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364820 0.82 KMT2A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367539 0.81 KMT2A (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366979 0.81 KMT2A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364894 0.81 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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
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