SCHEMBL7760171

SCHEMBL7760171

ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.O=S(=O)(c1ccccc1C(Br)(Br)Br)c1ccccc1C(Br)(Br)Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CCNB2 O95067 2/20 0.33
CCNE2 O96020 2/20 0.33
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CCNB1 P14635 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
HSD11B1 P28845 6/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
AKR1B1 P15121 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
SCHEMBL294598 0.83 GAA (0.46) GAAHSD11B1MEN1KMT2A
SCHEMBL544877 0.77 GAA (0.44) GAAHSD11B1MEN1KMT2AAKR1B1
SCHEMBL4930571 0.72 HTR6 (0.53) GAAHSD11B1KMT2A
SCHEMBL5677667 0.71 HTR6 (0.39) GAAMEN1KMT2A
SCHEMBL7760164 0.68 ALDH1A1 (0.43) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL3136914 0.67 MYC (0.41) GAACDK2CCNA2HSD11B1MEN1
SCHEMBL9360088 0.66 HSD11B1 (0.54) GAAHSD11B1MEN1KMT2A
SCHEMBL8178997 0.66 HSD11B1 (0.32) GAAHSD11B1
SCHEMBL29874131 0.65 MEN1 (0.60) GAAHSD11B1RXFP1MEN1KMT2A
SCHEMBL3625928 0.65 MEN1 (0.60) GAAHSD11B1RXFP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1079972-A1 IR-SENSITIVE COMPOSITION AND USE THEREOF FOR THE PREPARATION OF PRINTING PLATE PRECURSORS Kodak Polychrome Graphics Company Ltd. (US) 2001-03-07 EP claimed
WO-2000048836-A1 IR-SENSITIVE COMPOSITION AND USE THEREOF FOR THE PREPARATION OF PRINTING PLATE PRECURSORS KODAK POLYCHROME GRAPHICS COMPANY, LTD. (US) 2000-08-24 WO claimed