SCHEMBL30913036

SCHEMBL30913036

Clc1ccc2c(c1)C1(c3ccc(Br)cc3O2)c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.42
PDK2 Q15119 3/20 0.38
MAPK1 P28482 1/20 0.36
FTO Q9C0B1 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMAD3 P84022 1/20 0.35
PRMT1 Q99873 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL21517552 0.93 AHR (0.42) AHRPDK2MAPK1AKR1A1AKR1B1
SCHEMBL21342825 0.91 AHR (0.41) AHRPDK2MAPK1AKR1A1AKR1B1
SCHEMBL21517441 0.91 AHR (0.41) AHRPDK2MAPK1AKR1A1AKR1B1
SCHEMBL29869118 0.91 PDK2 (0.43) AHRPDK2MAPK1MEN1MAPT
SCHEMBL24027778 0.88 PDK2 (0.40) AHRPDK2MAPK1FTOMEN1
SCHEMBL30913037 0.87 AHR (0.52) AHRPDK2FTOMEN1MAPT
SCHEMBL21305014 0.87 AHR (0.52) AHRPDK2FTOMEN1MAPT
SCHEMBL22891353 0.87 MAPK1 (0.45) AHRPDK2MAPK1MEN1MAPT
SCHEMBL31753805 0.87 MAPK1 (0.45) AHRPDK2MAPK1MEN1MAPT
SCHEMBL29651964 0.87 AHR (0.50) AHRPDK2FTOMEN1MAPT

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-118084852-A Spiro [ 9H-fluorene-9, 9' - [9H ] xanthene ] organic photoelectric material, and preparation method and application thereof 河南省科学院化学研究所有限公司 2024-05-28 CN claimed
CN-118084852-A Spiro [ 9H-fluorene-9, 9' - [9H ] xanthene ] organic photoelectric material, and preparation method and application thereof 河南省科学院化学研究所有限公司 2024-05-28 CN disclosed