SCHEMBL9527460

SCHEMBL9527460

COc1c(C)cc2c3c([nH]c2c1C)Cc1ccccc1-3

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.34
HTR2C P28335 3/20 0.34
PTPRCAP Q14761 1/20 0.34
DRD2 P14416 9/20 0.33
DYRK1A Q13627 1/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA6 P23280 4/20 0.33
HTR2A P28223 2/20 0.32
PNPLA2 Q96AD5 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
KCNA3 P22001 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
SCHEMBL9528233 0.83 ALDH1A1 (0.32) DRD1DRD2CA1CA2CA4
SCHEMBL9526783 0.81 DRD1 (0.33) DRD1HTR2CPTPRCAPDRD2DYRK1A
SCHEMBL9531330 0.79 CA1 (0.49) CA1CA2CA4CA6
SCHEMBL9526948 0.71 CA1 (0.43) DRD1DRD2CA1CA2CA4
SCHEMBL9528450 0.71 CA1 (0.41) DRD1DRD2CA1CA2CA4
SCHEMBL4377821 0.70 DRD2 (0.56) DRD1DRD2CA1CA2CA4
SCHEMBL8946827 0.70 CA1 (0.48) CA1CA2CA4CA6
SCHEMBL3903939 0.68 KDM4E (0.47) CA1CA2CA4CA6KDM4E
SCHEMBL14963713 0.67 MAOA (0.44) DYRK1ACA1CA2CA4CA6
SCHEMBL7849710 0.67 MAPT (0.37) DRD1HTR2CDRD2CA1CA2

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
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed