SCHEMBL7775674

SCHEMBL7775674

COC(=O)Cn1c(C)cc(Cc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7771919 0.87 POLB (0.39) SMN1; SMN2LMNAFPR1KMT2AMEN1
SCHEMBL7771927 0.86 KDM4E (0.44) TP53SMN1; SMN2LMNAHPGDFPR1
SCHEMBL7772080 0.85 ALDH1A1 (0.38) TP53SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL7771637 0.84 SMN1; SMN2 (0.41) SMN1; SMN2LMNAFPR1FPR2MAPT
SCHEMBL7767875 0.84 KDM4E (0.43) TP53SMN1; SMN2HPGDMAPTHTT
SCHEMBL7772064 0.81 FPR1 (0.39) SMN1; SMN2HPGDFPR1FPR2KMT2A
SCHEMBL7775637 0.75 PTGDR2 (0.41) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL7773566 0.74 MAPT (0.44) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL7767892 0.72 POLB (0.39) SMN1; SMN2LMNAHPGDKMT2AMEN1
SCHEMBL8107158 0.72 IDH1 (0.39) SMN1; 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
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed