SCHEMBL6013587

SCHEMBL6013587

COc1ccc2cscc2c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 7/20 0.41
IDO1 P14902 6/20 0.41
MAPT P10636 5/20 0.39
CYP3A4 P08684 4/20 0.39
CDC42 P60953 2/20 0.37
RAC1 P63000 2/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.37
NQO1 P15559 1/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5320712 0.72 KDM4E (0.40) MAPTCYP3A4KDM4EALDH1A1HPGD
SCHEMBL278576 0.71 MAPT (0.67) TDO2IDO1MAPTCYP3A4KDM4E
SCHEMBL30380487 0.71 MAPT (0.67) TDO2IDO1MAPTCYP3A4KDM4E
SCHEMBL16641096 0.71 ALDH1A1 (0.50) TDO2IDO1MAPTCYP3A4CDC42
SCHEMBL30701949 0.69 CA9 (0.50) MAPTCYP3A4KDM4EALDH1A1HPGD
SCHEMBL3674074 0.69 CA9 (0.50) MAPTCYP3A4KDM4EALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL11476305 0.69 MAPT (0.64) TDO2IDO1MAPTCYP3A4KDM4E
SCHEMBL5356684 0.68 TDO2 (0.51) TDO2IDO1MAPTCYP3A4CDC42
SCHEMBL7129654 0.68 IDO1 (0.54) TDO2IDO1MAPTKDM4EALDH1A1
SCHEMBL15476760 0.67 MAPT (0.60) TDO2IDO1MAPTCDC42RAC1

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
EP-1728256-A1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE Showa Denko K.K. (JP) 2006-12-06 EP disclosed
WO-2005091309-A1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE SHOWA DENKO K.K. (JP) 2005-09-29 WO disclosed