SCHEMBL30181077

SCHEMBL30181077

O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c64)-c1ccc(Br)cc1C5=O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.87
PTPRC P08575 2/20 0.68
S100A4 P26447 3/20 0.55
MCL1 Q07820 2/20 0.51
CYP1A2 P05177 5/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PABPC1 P11940 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 2/20 0.46
DNMT1 P26358 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
GNG2 P59768 1/20 0.46
GNB1 P62873 1/20 0.46

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
SCHEMBL12960391 1.00 BCL2 (0.87) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL21436614 0.97 BCL2 (0.81) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL14206501 0.93 BCL2 (1.00) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL14952682 0.90 BCL2 (0.86) BCL2PTPRCS100A4MCL1CYP1A2
Anthraquinone SCHEMBL4307959 0.86 BCL2 (0.60) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL88058 0.86 BCL2 (0.60) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL13030543 0.86 BCL2 (0.85) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL14096709 0.86 BCL2 (0.85) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL12031457 0.86 BCL2 (0.60) BCL2PTPRCS100A4MCL1CYP1A2
SCHEMBL12449237 0.86 BCL2 (0.60) BCL2PTPRCS100A4MCL1CYP1A2

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-118461161-A Spinning solution, preparation method of cotton composite yarn, cotton composite yarn and fabric 魏桥纺织股份有限公司 2024-08-09 CN claimed
CN-116666542-A Aqueous rechargeable calcium ion storage electrode based on vat dye 西北工业大学 2023-08-29 CN claimed
CN-115594990-A Preparation method and application of energy-saving emission-reducing high-strength liquid vat dye composition 浙江亿得新材料股份有限公司(CN) 2023-01-13 CN claimed
CN-118461161-A Spinning solution, preparation method of cotton composite yarn, cotton composite yarn and fabric 魏桥纺织股份有限公司 2024-08-09 CN disclosed
CN-116666542-A Aqueous rechargeable calcium ion storage electrode based on vat dye 西北工业大学 2023-08-29 CN disclosed
CN-115594990-A Preparation method and application of energy-saving emission-reducing high-strength liquid vat dye composition 浙江亿得新材料股份有限公司(CN) 2023-01-13 CN disclosed
EP-2776516-B1 POLYMER BONDED VAT DYES SICPA HOLDING SA (CH) 2022-12-28 EP disclosed