SCHEMBL367225

SCHEMBL367225

COc1cc(OCC#N)cn2c1c(C(N)=O)c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL365106 0.90 KMT2A (0.39) KMT2ASMN1; SMN2MAPTLMNATSHR
SCHEMBL366567 0.87 PSEN1 (0.38) KMT2ASMN1; SMN2MAPTTSHRMAPK1
SCHEMBL364641 0.86 PLK1 (0.38) KMT2ASMN1; SMN2MAPTPSEN1PSEN2
SCHEMBL365965 0.82 ACVR2A (0.38) LMNATSHRHTTKDM4E
SCHEMBL365786 0.82 ALDH1A1 (0.38) KMT2AMAPTLMNAHTTPSEN1
SCHEMBL367249 0.81 MEN1 (0.36) KMT2AMAPTLMNAHTTPSEN1
SCHEMBL366016 0.81 MAPK12 (0.39) SMN1; SMN2LMNATSHRHTTKDM4E
SCHEMBL366807 0.80 MCL1 (0.33) KMT2ASMN1; SMN2MAPTLMNATSHR
SCHEMBL366032 0.80 PSEN1 (0.38) KMT2ASMN1; SMN2MAPTLMNAHTT
SCHEMBL365490 0.80 NCEH1 (0.39) KMT2ASMN1; SMN2TSHRMEN1NPC1

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