SCHEMBL366831

SCHEMBL366831

Cc1cnc(CCCOc2cc(OCC#N)cn3c2c(C(=O)O)c2ccccc23)o1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCL2 P10415 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL366807 0.93 MCL1 (0.33) MCL1KMT2APSEN1PSEN2APH1B
SCHEMBL366906 0.86 HTT (0.37) MCL1MEN1KMT2APSEN1PSEN2
SCHEMBL366073 0.83 ALKBH1 (0.36) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL366830 0.81 ALDH1A1 (0.35) MCL1MEN1KMT2ABCL2PSEN1
SCHEMBL364643 0.81 CYP11B1 (0.40) ALDH1A1
SCHEMBL365106 0.80 KMT2A (0.39) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL366565 0.79 ALDH1A1 (0.39) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL367347 0.77 KMT2A (0.38) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL367194 0.77 GPR132 (0.38)
SCHEMBL364641 0.76 PLK1 (0.38) KMT2APSEN1PSEN2APH1BNCSTN

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed