SCHEMBL5793530

SCHEMBL5793530

Cc1ccc(Cc2ccccc2)c(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.45
PIK3CG P48736 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 5/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
PKM P14618 2/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ALDH1A1 P00352 5/20 0.42

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
SCHEMBL1964226 0.83 MAPT (0.51) NCF1PIK3CGMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL9656066 0.83 KMT2A (0.50) NCF1MEN1KMT2AHTTALDH1A1
Delfaprazine SCHEMBL635276 0.83 HTR6 (0.55) CYP1A2CYP3A4CYP2C9
Delfaprazine SCHEMBL10574629 0.82 HTR1A (0.56) CYP1A2CYP3A4CYP2C9
Delfaprazine SCHEMBL2231436 0.82 HTR1A (0.56) CYP1A2CYP3A4CYP2C9
Delfaprazine SCHEMBL9656119 0.82 HTR6 (0.54) CYP1A2CYP3A4CYP2C9
SCHEMBL5790172 0.82 DRD1 (0.51) PIK3CGMEN1KMT2AHPGDPIK3CB
SCHEMBL18914541 0.79 ALDH1A1 (0.47) NCF1MEN1KMT2AHPGDPRKDC
SCHEMBL15831849 0.79 PRKDC (0.47) NCF1MEN1KMT2AHPGDPRKDC
SCHEMBL3278487 0.78 NPC1 (0.49) PIK3CGMEN1KMT2AHPGDPIK3CB

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 1 patent. 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 disclosed