SCHEMBL5790169

SCHEMBL5790169

Cc1ccc(Cc2ccccc2NCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
DRD3 P35462 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ADRA2C P18825 1/20 0.46
SCD O00767 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
APP P05067 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.41
CA12 O43570 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL5790165 0.89 HSD17B10 (0.57) HTTHSD17B10DRD3L3MBTL1ADRA2C
SCHEMBL5789920 0.87 HTT (0.53) HTTSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL30023202 0.85 HTT (0.53) HTTSMN1; SMN2HSD17B10L3MBTL1ADRA2C
SCHEMBL5791942 0.84 DRD3 (0.51) HTTSMN1; SMN2DRD3L3MBTL1HPGD
SCHEMBL7524406 0.84 DRD3 (0.51) HTTSMN1; SMN2DRD3L3MBTL1HPGD
SCHEMBL5791420 0.81 HSD17B10 (0.52) HSD17B10DRD3L3MBTL1ADRA2CSCD
SCHEMBL21970160 0.80 ADRA2C (0.58) HTTSMN1; SMN2HSD17B10L3MBTL1ADRA2C
SCHEMBL2140027 0.80 HTR2A (0.54) HTTSMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL5792104 0.78 HPGD (0.52) HTTSMN1; SMN2HSD17B10DRD3L3MBTL1
SCHEMBL2870268 0.77 L3MBTL1 (0.53) HTTDRD3L3MBTL1TSHRALDH1A1

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
WO-2006012683-A1 CHEMICAL PROCESSES AND COMPOUNDS DERIVED THEREFROM MONASH UNIVERSITY (AU) 2006-02-09 WO claimed
WO-2006012683-A1 CHEMICAL PROCESSES AND COMPOUNDS DERIVED THEREFROM MONASH UNIVERSITY (AU) 2006-02-09 WO disclosed