SCHEMBL3314589

SCHEMBL3314589

Ic1ccc(I)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 5/20 0.38
ALOX5 P09917 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
MIF P14174 1/20 0.34
ESR2 Q92731 1/20 0.34
DPP4 P27487 1/20 0.33
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 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
SCHEMBL13445421 0.85 BACE1 (0.44) BACE1TDO2ALDH1A1ALOX5HSD17B10
SCHEMBL6562964 0.84 MEN1 (0.44) BACE1ALDH1A1ALOX5HSD17B10HPGD
SCHEMBL10388224 0.83 BACE1 (0.42) BACE1TDO2ALDH1A1ALOX5HSD17B10
SCHEMBL6307069 0.81 BACE1 (0.41) BACE1ALDH1A1ALOX5HSD17B10HPGD
SCHEMBL1032857 0.81 BACE1 (0.41) BACE1ALDH1A1ALOX5HSD17B10HPGD
SCHEMBL8960172 0.81 TGM2 (0.39) TGM2CES1
SCHEMBL30323756 0.80 MEN1 (0.48) BACE1ALDH1A1ALOX5HSD17B10HPGD
SCHEMBL4198284 0.80 MEN1 (0.48) BACE1ALDH1A1ALOX5HSD17B10HPGD
SCHEMBL19503101 0.79 ESR2 (0.44) BACE1ALDH1A1ALOX5HPGDCYP2A6
SCHEMBL29015046 0.79 CYP2A6 (0.54) BACE1ALDH1A1ALOX5HPGDCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4063368-B1 NITROGEN-CONTAINING COMPOUND AND ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MAT CO LTD (CN) 2024-06-26 EP disclosed
EP-3845522-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2021-07-07 EP disclosed
WO-2021083030-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-05-06 WO disclosed
US-20100105786-A1 Method for Producing Polymer Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-29 US disclosed
CN-1922236-A Method for producing polymer compound SUMITOMO CHEMICAL CO (JP) 2007-02-28 CN disclosed
EP-1721922-A1 METHOD FOR PRODUCING POLYMER COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-11-15 EP disclosed