SCHEMBL7775637

SCHEMBL7775637

Cc1cc(Cc2ccc(F)cc2)c([N+](=O)[O-])c(=O)n1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.41
POLB P06746 3/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8107158 0.88 IDH1 (0.39) PTGDR2SMN1; SMN2
SCHEMBL8125439 0.82 FPR1 (0.39) PTGDR2LMNAHTTMEN1KMT2A
SCHEMBL7376458 0.79 MAPT (0.42) NPC1LMNAHTTMAPTMEN1
SCHEMBL7771927 0.79 KDM4E (0.44) POLBSMN1; SMN2NPC1LMNAHTT
SCHEMBL7771637 0.77 SMN1; SMN2 (0.41) POLBSMN1; SMN2LMNAHTTMAPT
SCHEMBL7772080 0.75 ALDH1A1 (0.38) POLBATMSMN1; SMN2NPC1LMNA
SCHEMBL7771925 0.75 LMNA (0.37) NPC1LMNAHTTMAPTMEN1
SCHEMBL7767875 0.75 KDM4E (0.43) POLBSMN1; SMN2HTTMAPTALDH1A1
SCHEMBL7775674 0.75 TP53 (0.48) POLBSMN1; SMN2LMNAHTTMAPT
SCHEMBL8123909 0.71 CYP1A2 (0.45) PTGDR2SMN1; SMN2NPC1LMNAMAPT

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
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed