SCHEMBL7775650

SCHEMBL7775650

COC(=O)Cn1c(C)cc(Cc2ccccc2)c(N)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
RCE1 Q9Y256 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.44
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7767882 0.88 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7377097 0.87 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7771929 0.86 SCN5A (0.40) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7767896 0.85 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7772054 0.84 FPR1 (0.41) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7771927 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7773814 0.80 PTGDR2 (0.45) KDM4EALDH1A1MAPK1RCE1NPC1
SCHEMBL7767885 0.78 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7773564 0.77 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1MAPK1RCE1
SCHEMBL7395782 0.77 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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