SCHEMBL9025439

SCHEMBL9025439

COc1c(Cc2c(CC(C)C)[nH]c3ccccc23)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SRC P12931 1/20 0.31

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
SCHEMBL9025798 0.94 CHRNB2 (0.34) KDM4EHPGDHSD17B10CHRNB2CHRNA7
SCHEMBL9026293 0.89 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9025829 0.82 MAPT (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9848955 0.79 AHR (0.38) KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL9026919 0.78 AKR1C2 (0.45) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9027577 0.78 MAPT (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9026790 0.77 AHR (0.43) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9025791 0.75 KMT2A (0.36) SMN1; SMN2MEN1KMT2APARP1
SCHEMBL9027465 0.75 CNR1 (0.33) HPGDALDH1A1EGFRMEN1KMT2A
SCHEMBL9027098 0.74 SOS2 (0.43) 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 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