SCHEMBL367347

SCHEMBL367347

CCOc1cccc(CCOc2cc(OCC#N)cn3c2c(C(=O)O)c2ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HTR6 P50406 1/20 0.36
FFAR1 O14842 1/20 0.35
FAAH O00519 1/20 0.35
HRH2 P25021 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL367249 0.92 MEN1 (0.36) KMT2AMEN1USP2POLBHTR6
SCHEMBL366565 0.91 ALDH1A1 (0.39) KMT2AMEN1POLBFFAR1MAPT
SCHEMBL366073 0.91 ALKBH1 (0.36) KMT2AMEN1POLBFFAR1MAPT
SCHEMBL366915 0.86 PSEN1 (0.37) KMT2AMEN1USP2POLBHTR6
SCHEMBL365169 0.86 ACHE (0.41) HTR6
SCHEMBL364643 0.85 CYP11B1 (0.40) LMNAALDH1A1
SCHEMBL364641 0.84 PLK1 (0.38) KMT2APOLBHTR6FFAR1MAPT
SCHEMBL365786 0.84 ALDH1A1 (0.38) KMT2AMEN1POLBFFAR1LMNA
SCHEMBL367346 0.81 ALDH1A1 (0.37) KMT2AMEN1POLBHTR6FFAR1
SCHEMBL365106 0.81 KMT2A (0.39) KMT2AMEN1POLBLMNAMAPT

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