SCHEMBL987334

SCHEMBL987334

C=Cc1c(Br)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.32
ANPEP P15144 2/20 0.31
IL1RN P18510 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ALOX5 P09917 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
BACE1 P56817 1/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL828194 0.84 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRLMNAMAPT
SCHEMBL28855278 0.80 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRLMNAMAPT
SCHEMBL28992715 0.79 ALDH1A1 (0.33) ALDH1A1MAPK1TSHRLMNAMAPT
SCHEMBL772275 0.79 PTGS2 (0.38) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL29044990 0.78 ALDH1A1 (0.32) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL30557951 0.78 BACE1 (0.43) ALDH1A1MAPTALOX5BACE1
SCHEMBL4137800 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1ANPEPIL1RNERAP2
SCHEMBL30866153 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1ANPEPIL1RNERAP2
SCHEMBL27898117 0.75 ALDH1A1 (0.43) ALDH1A1MAPK1TSHRALOX5ADRB2
SCHEMBL66940 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1ANPEPIL1RNERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063869-B1 METHOD FOR SELECTING ORGANIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO (JP) 2011-04-06 EP disclosed
EP-2270117-A2 Organic electroluminescence device Idemitsu Kosan Co., Ltd. (JP) 2011-01-05 EP disclosed
US-20060159959-A1 Organic electroluminescence device with organic compound layer containing lower than 500 ppm of a halogen-containing compound IDEMITSU KOSAN CO., LTD. (JP) 2006-07-20 US disclosed
US-7045950-B2 Organic electroluminescence device with organic compound layer containing lower than 500 PPM of a halogen-containing compound IDEMITSU KOSAN CO., LTD. (JP) 2006-05-16 US disclosed
US-20040007971-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2004-01-15 US disclosed
US-6617051-B1 Organic emitting layer sandwiched between a pair of electrodes, wherein at least one organic compound layer is formed from an organic compound material having an impurity concentration of lower than 1000 ppm. IDEMITSU KOSAN CO., LTD. (JP) 2003-09-09 US disclosed
EP-1063869-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-27 EP disclosed