SCHEMBL9037121

SCHEMBL9037121

CC(C)Cc1c(=O)[nH]c(Cc2c[nH]c3ccccc23)c(OC2CCCCC2)[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
BCHE P06276 3/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 2/20 0.36
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL9025829 0.86 MAPT (0.42) KCNA5MAPTALDH1A1KMT2AMEN1
SCHEMBL9486584 0.85 AHR (0.40) KCNA5MAPTALDH1A1KMT2AMEN1
SCHEMBL9026487 0.84 AHR (0.39) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL9025995 0.82 KCNA5 (0.41) KCNA5KCNH2MAPTKMT2AMEN1
SCHEMBL9026805 0.80 KMT2A (0.40) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9025377 0.80 BCHE (0.43) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL9038160 0.80 AHR (0.42) MAPTKMT2AMEN1AHRADRB1
SCHEMBL9026589 0.80 AHR (0.42) MAPTKMT2AMEN1AHRADRB1
SCHEMBL9026254 0.80 MAPT (0.44) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL9026540 0.80 AHR (0.42) MAPTKMT2AMEN1AHRADRB1

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