SCHEMBL9539860

SCHEMBL9539860

C#CCOc1c(C(=O)O)sc2nc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
SCD O00767 2/20 0.39
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CHEK2 O96017 1/20 0.35
FLT1 P17948 1/20 0.35
MGAM O43451 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTPN1 P18031 2/20 0.35
HPGD P15428 1/20 0.35
PTPN2 P17706 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9542450 0.88 KDM4E (0.43) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL9540900 0.70 KDM4E (0.41) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL9543715 0.70 ALDH1A1 (0.41) KDM4EALDH1A1POLBMAPTSCD
SCHEMBL9541213 0.70 MAPT (0.40) KDM4EALDH1A1POLBMAPTSCD
SCHEMBL5241405 0.69 MCL1 (0.44) KDM4EALDH1A1POLBGAACYP1A2
SCHEMBL13954996 0.69 MAPT (0.47) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL9543599 0.68 GAA (0.41) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9541204 0.67 NSD2 (0.42) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL11001442 0.65 NPC1 (0.57) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL29912577 0.65 NPC1 (0.57) KDM4EALDH1A1POLBGAAMAPT

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