SCHEMBL9542671

SCHEMBL9542671

O=C(Oc1ccccc1)c1sc2nc(Oc3ccccc3)ncc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.37
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 6/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 2/20 0.35
HPGDS O60760 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK1 P28482 1/20 0.34
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BTK Q06187 1/20 0.33
FOS P01100 1/20 0.33

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
SCHEMBL9541088 0.89 KMT2A (0.37) NSD2HPGDALOX15HSD17B10ALDH1A1
SCHEMBL9542662 0.82 ALDH1A1 (0.41) HPGDHSD17B10ALDH1A1CYP1A2CYP2C19
SCHEMBL9542502 0.82 ALDH1A1 (0.38) NSD2HPGDALOX15HSD17B10ALDH1A1
SCHEMBL9540999 0.80 TMPRSS15 (0.38) NSD2HPGDALOX15HSD17B10ALDH1A1
SCHEMBL9542517 0.76 MAPT (0.51) NSD2HPGDALOX15HSD17B10ALDH1A1
SCHEMBL9541204 0.76 NSD2 (0.42) NSD2HPGDALOX15HSD17B10ALDH1A1
SCHEMBL9541069 0.76 KDM4E (0.49) NSD2HPGDALOX15HSD17B10ALDH1A1
SCHEMBL9540895 0.74 MAPT (0.40) NSD2HPGDALOX15HSD17B10ALDH1A1
SCHEMBL9540942 0.71 MAPT (0.54) NSD2HPGDALDH1A1MAPTKDM4E
SCHEMBL9542443 0.66 MAPT (0.38) NSD2HPGDALDH1A1CYP1A2MAPT

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-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed