SCHEMBL366344

SCHEMBL366344

CCS(=O)(=O)NC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 5/20 0.34
ADAM17 P78536 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
NR4A2 P43354 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 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
SCHEMBL364894 0.93 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367542 0.91 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364828 0.91 MCL1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365499 0.89 P4HTM (0.38) KMT2AALDH1A1ADAM17KDM4EMEN1
SCHEMBL367074 0.88 LMNA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364821 0.85 ADAM17 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366343 0.85 ALDH1A1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364973 0.84 KMT2A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365540 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366032 0.83 PSEN1 (0.38) 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