SCHEMBL4771142

SCHEMBL4771142

CC(c1ccccc1)n1c(C=Cc2cnn(C)c2)c([N+](=O)[O-])c(=O)n(C(C)c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
BRD4 O60885 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL4771114 1.00 MAPT (0.40) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4768010 0.89 MITF (0.36) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4762612 0.88 NPC1 (0.41) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4762617 0.88 NPC1 (0.41) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4771511 0.87 MAPT (0.35) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4771502 0.87 MAPT (0.35) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4762428 0.87 MAPT (0.39) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4762430 0.87 MAPT (0.39) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4769143 0.82 MAPT (0.46) MAPTALDH1A1MAPK1MITFSMN1; SMN2
SCHEMBL4769133 0.82 MAPT (0.46) MAPTALDH1A1MAPK1MITFSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed