SCHEMBL5670529

SCHEMBL5670529

C=Cc1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
DNMT1 P26358 1/20 0.42
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ANPEP P15144 1/20 0.39
TYMP P19971 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPRT1 P00492 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
Boric Acid SCHEMBL28864173 0.93 DHFR (0.39) DHFRDNMT1ALDH1A1TDP1CYP2A6
SCHEMBL31656347 0.84 DNMT1 (0.39) DNMT1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL30570799 0.81 DNMT1 (0.50) DHFRDNMT1ALDH1A1TDP1CYP2A6
SCHEMBL21020048 0.81 DNMT1 (0.50) DHFRDNMT1ALDH1A1TDP1CYP2A6
SCHEMBL29891064 0.81 SIRT2 (0.40) DHFRDNMT1ALDH1A1TDP1CYP2A6
SCHEMBL16487398 0.81 SIRT2 (0.40) DHFRDNMT1ALDH1A1TDP1CYP2A6
SCHEMBL2354613 0.79 MAPT (0.43) DNMT1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL11670542 0.79 MAPT (0.56) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL2354617 0.79 BACE1 (0.43) DHFRALDH1A1TDP1CYP2A6TSHR
SCHEMBL30618856 0.79 BACE1 (0.43) DHFRALDH1A1TDP1CYP2A6TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741442-B2 Modified electrodes using functional organic materials and electronic devices therefrom GENERAL ELECTRIC COMPANY (US) 2014-06-03 US disclosed
US-20060234059-A1 Modified electrodes using functional organic materials and electronic devices therefrom GENERAL ELECTRIC COMPANY 2006-10-19 US disclosed
US-20060131567-A1 Surface modified electrodes and devices using reduced organic materials GENERAL ELECTRIC COMPANY 2006-06-22 US disclosed
US-20060131565-A1 Surface modified electrodes for electrooptic devices GENERAL ELECTRIC COMPANY 2006-06-22 US disclosed
EP-1672720-A2 Surface modified electrodes and devices using reduced organic materials The General Electric Company (US) 2006-06-21 EP disclosed