SCHEMBL4790609

SCHEMBL4790609

COc1ccc(Cn2c(C)c([N+](=O)[O-])c(=O)n(Cc3ccccc3F)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
DCTPP1 Q9H773 3/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GNRHR P30968 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4770686 0.88 DCTPP1 (0.51) MAPTDCTPP1ALDH1A1KDM4ETHRB
SCHEMBL4767575 0.88 L3MBTL1 (0.52) MAPTTP53ALDH1A1GNRHRL3MBTL1
SCHEMBL4866686 0.82 MAPT (0.44) MAPTSMN1; SMN2TP53DCTPP1ALDH1A1
SCHEMBL4862734 0.82 MAPT (0.44) MAPTSMN1; SMN2TP53DCTPP1ALDH1A1
SCHEMBL4866971 0.81 ADORA2B (0.44) MAPTSMN1; SMN2TP53DCTPP1ALDH1A1
SCHEMBL5741824 0.81 PDE1A (0.47) MAPTDCTPP1ALDH1A1KDM4E
SCHEMBL4867853 0.80 MAPT (0.42) MAPTSMN1; SMN2TP53DCTPP1ALDH1A1
SCHEMBL4769603 0.80 DCTPP1 (0.46) MAPTDCTPP1ALDH1A1KDM4ETHRB
SCHEMBL4762307 0.79 DCTPP1 (0.44) MAPTSMN1; SMN2DCTPP1ALDH1A1L3MBTL1
SCHEMBL4762278 0.79 DCTPP1 (0.49) MAPTDCTPP1ALDH1A1NPSR1KDM4E

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