SCHEMBL9848955

SCHEMBL9848955

COc1c(Cc2cc3ccccc3[nH]2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.38
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 3/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9025439 0.79 KDM4E (0.33) KDM4EALDH1A1TSHRHSD17B10
SCHEMBL9025829 0.78 MAPT (0.42) AHRKDM4EALDH1A1GAAMAPT
SCHEMBL9025798 0.78 CHRNB2 (0.34) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL9026293 0.77 TUBB4A (0.43)
SCHEMBL9686806 0.75 TAS1R3 (0.38) KDM4EALDH1A1GAAMAPTHIF1A
SCHEMBL9160957 0.74 SMN1; SMN2 (0.33) KDM4ETSHRHSD17B10
SCHEMBL9027577 0.73 MAPT (0.41) KDM4EALDH1A1MAPTTSHRL3MBTL1
SCHEMBL9026790 0.73 AHR (0.43) AHRKDM4EALDH1A1MAPTLMNA
SCHEMBL9026919 0.72 AKR1C2 (0.45) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL9026223 0.72 PCSK9 (0.39) AHRMAPTLMNA

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-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP claimed