SCHEMBL2016155

SCHEMBL2016155

O=CCc1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ERN1 O75460 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCEH1 Q6PIU2 2/20 0.37
MAOB P27338 1/20 0.37
HPRT1 P00492 1/20 0.37
HPGD P15428 1/20 0.35

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
SCHEMBL31148944 1.00 POLB (0.46) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL7924277 0.81 POLB (0.46) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28799661 0.79 ERN1 (0.46) POLBALDH1A1CYP2A6SMN1; SMN2ERN1
SCHEMBL16414608 0.79 POLB (0.50) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL30640504 0.79 GABRA1 (0.52) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL8850092 0.79 GABRA1 (0.52) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL2012510 0.78 PTPN22 (0.48)
SCHEMBL11746597 0.78 CYP2A6 (0.48) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL4592248 0.78 ALDH1A1 (0.41) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL596646 0.76 POLB (0.57) POLBALDH1A1CYP2A6TSHRHSD17B10

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
CN-114685518-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2024-01-30 CN disclosed
CN-114685454-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2024-01-12 CN disclosed
CN-114685518-A Organic compound, mixture, composition and organic electronic device 广州华睿光电材料有限公司 2022-07-01 CN disclosed
CN-114685454-A Organic compound, mixture, composition and organic electronic device 广州华睿光电材料有限公司 2022-07-01 CN disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed
WO-2000037433-A1 INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-06-29 WO disclosed