SCHEMBL9026865

SCHEMBL9026865

CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2cn(C)c3ccccc23)C(=O)N1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
CMA1 P23946 2/20 0.41
CCKBR P32239 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
GRM2 Q14416 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
SCHEMBL9026403 1.00 KDM4E (0.43) KDM4EHPGDHSD17B10GPR84CMA1
SCHEMBL9026142 0.80 CCKBR (0.38) KDM4EHPGDHSD17B10GPR84CMA1
SCHEMBL9848971 0.80 CCKBR (0.38) KDM4EHPGDHSD17B10GPR84CMA1
SCHEMBL9025971 0.80 CCKBR (0.38) KDM4EHPGDHSD17B10GPR84CMA1
SCHEMBL9027168 0.79 MAPT (0.51) KDM4EHPGDHSD17B10CCKBRALDH1A1
SCHEMBL9027690 0.79 MAPT (0.51) KDM4EHPGDHSD17B10CCKBRALDH1A1
SCHEMBL10466586 0.75 GPR84 (0.46) KDM4EGPR84CMA1CCKBRALDH1A1
SCHEMBL10467137 0.72 HDAC3 (0.48) KDM4EHPGDHSD17B10GPR84CMA1
SCHEMBL5018864 0.67 GPR84 (0.67) KDM4EHPGDHSD17B10GPR84ALDH1A1
SCHEMBL10468191 0.67 GPR84 (0.57) KDM4EGPR84CMA1CCKBRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
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 disclosed