SCHEMBL9526783

SCHEMBL9526783

COc1c(C)cc2[nH]c3c(c2c1C)-c1ccccc1C3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.33
HTR2C P28335 3/20 0.33
PTPRCAP Q14761 1/20 0.33
DRD2 P14416 9/20 0.33
DYRK1A Q13627 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
PARP1 P09874 1/20 0.32
HTR2A P28223 2/20 0.31
PNPLA2 Q96AD5 1/20 0.31
HTR7 P34969 1/20 0.31
AR P10275 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
LMNA P02545 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
SCHEMBL8946827 0.82 CA1 (0.48) CA1CA2CA4CA6
SCHEMBL9526776 0.82 ADORA3 (0.43) DRD1DRD2DRD5DRD3CA1
SCHEMBL9527460 0.81 DRD1 (0.34) DRD1HTR2CPTPRCAPDRD2DYRK1A
SCHEMBL7849710 0.79 MAPT (0.37) DRD1HTR2CDRD2DRD5DRD3
SCHEMBL8524084 0.74 MAPK8 (0.39) DRD1DRD2DRD5DRD3CA1
SCHEMBL9528450 0.73 CA1 (0.41) DRD1DRD2DRD5DRD3CA1
SCHEMBL9526948 0.70 CA1 (0.43) DRD1DRD2DRD5DRD3CA1
SCHEMBL4377821 0.69 DRD2 (0.56) DRD1DRD2DRD5DRD3CA1
SCHEMBL9527310 0.68 CA1 (0.37) CA1CA2CA4CA6MAPK10
SCHEMBL9531330 0.68 CA1 (0.49) CA1CA2CA4CA6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed