SCHEMBL7772054

SCHEMBL7772054

COC(=O)Cn1c(C)cc(Cc2ccsc2)c(N)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
IDH1 O75874 1/20 0.39
KDM4E B2RXH2 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LTA4H P09960 1/20 0.37
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
RCE1 Q9Y256 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 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
SCHEMBL8124061 0.87 FPR1 (0.41) FPR1FPR2IDH1KDM4EALDH1A1
SCHEMBL7775650 0.84 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL7772064 0.83 FPR1 (0.39) FPR1FPR2IDH1KDM4ESMN1; SMN2
SCHEMBL7767882 0.82 KDM4E (0.40) FPR1FPR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7771929 0.80 SCN5A (0.40) KDM4ESMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL7767896 0.79 KDM4E (0.47) IDH1KDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL7773577 0.78 KAT2B (0.47) FPR1FPR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7773814 0.72 PTGDR2 (0.45) KDM4EALDH1A1RAB9AMAPK1RCE1
SCHEMBL7377097 0.71 KDM4E (0.44) FPR1FPR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7771932 0.70 F2 (0.42) KDM4ESMN1; SMN2ALDH1A1POLBMEN1

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