SCHEMBL29924741

SCHEMBL29924741

Clc1ccc2c(c1)Oc1cccc(Br)c1O2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHR P35869 18/20 0.59
MAPK1 P28482 1/20 0.36

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
SCHEMBL4592669 0.81 AHR (0.56) AHRMAPK1
SCHEMBL1690731 0.79 AHR (0.85) AHRMAPK1
SCHEMBL380544 0.79
SCHEMBL18489010 0.79 AHR (0.44) AHR
SCHEMBL6789123 0.77
SCHEMBL2885125 0.77 AHR (1.00) AHRMAPK1
SCHEMBL28555079 0.77
SCHEMBL29588977 0.77 AHR (1.00) AHRMAPK1
SCHEMBL11215846 0.77 AHR (1.00) AHRMAPK1
SCHEMBL19899618 0.77 AHR (0.44) AHRMAPK1

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
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 WO disclosed