SCHEMBL27725965

SCHEMBL27725965

O=C(O)c1cc(Br)c2c3c(Br)cc(C(=O)O)c4c(C(=O)O)cc(Br)c(c5c(Br)cc(C(=O)O)c1c25)c43

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
AKR1C4 P17516 2/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
AKR1C1 Q04828 2/20 0.45
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PTPN1 P18031 2/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL3723970 0.82 CYP1A2 (0.52) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19582619 0.81 CYP1A2 (0.44) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL148218 0.79 CYP1A2 (0.54) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16097324 0.79 ALDH1A1 (0.41) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4626489 0.78 AKR1C4 (0.52) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL71146 0.78 LCK (0.60) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3664560 0.78 AKR1C3 (0.43) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL27725966 0.76 CYP1A2 (0.50) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3868457 0.76 CYP1A2 (0.56) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11706863 0.76 LCK (0.58) CYP1A2AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115178294-A PDI functionalized 3D g-C 3 N 4 Preparation method and application of photocatalyst 江苏大学 2022-10-14 CN claimed
CN-113755022-A Water-soluble diionic perylene bisimide dye, synthesis method and application of cell fluorescent marker 重庆科技学院 2021-12-07 CN claimed
CN-106752059-A The preparation method of Yi Zhong perylene red Lumogen Red F300 浙江力禾集团有限公司 2017-05-31 CN claimed
CN-101205229-B Dizotetracarboxylic dianiline compositions and preparation thereof CHINESE ACAD INST CHEMISTRY 2010-04-14 CN claimed
CN-101205229-A Dizotetracarboxylic dianiline compositions and preparation thereof CHINESE ACAD INST CHEMISTRY (CN) 2008-06-25 CN claimed
CN-115178294-A PDI functionalized 3D g-C 3 N 4 Preparation method and application of photocatalyst 江苏大学 2022-10-14 CN disclosed
CN-113755022-A Water-soluble diionic perylene bisimide dye, synthesis method and application of cell fluorescent marker 重庆科技学院 2021-12-07 CN disclosed
CN-106752059-A The preparation method of Yi Zhong perylene red Lumogen Red F300 浙江力禾集团有限公司 2017-05-31 CN disclosed
CN-101205229-B Dizotetracarboxylic dianiline compositions and preparation thereof CHINESE ACAD INST CHEMISTRY 2010-04-14 CN disclosed
CN-101205229-A Dizotetracarboxylic dianiline compositions and preparation thereof CHINESE ACAD INST CHEMISTRY (CN) 2008-06-25 CN disclosed