SCHEMBL28580906

SCHEMBL28580906

Brc1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC4 P56524 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
FAAH O00519 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
MGLL Q99685 1/20 0.36
DCTPP1 Q9H773 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
KMT2A Q03164 3/20 0.35
IL1R1 P14778 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16919433 0.97 L3MBTL1 (0.50) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL16409596 0.91 ATM (0.57) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL16409611 0.91 ATM (0.57) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL26750950 0.90 ATM (0.55) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL16409583 0.90 ATM (0.55) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL16593138 0.90 L3MBTL1 (0.60) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL17038449 0.90 ATM (0.55) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL15458632 0.89 ATM (0.47) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL15458652 0.89 ATM (0.47) ATML3MBTL1KDM4EHDAC4ALDH1A1
SCHEMBL26622420 0.89 L3MBTL1 (0.47) ATML3MBTL1KDM4EHDAC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232381-B 9- ([1,1' -biphenyl ] -3-yl) -2' -bromo-2, 9' -bicarbazole and synthesis method thereof 河南省科学院化学研究所有限公司 2021-06-11 CN claimed
CN-109232381-B 9- ([1,1' -biphenyl ] -3-yl) -2' -bromo-2, 9' -bicarbazole and synthesis method thereof 河南省科学院化学研究所有限公司 2021-06-11 CN disclosed
CN-109232381-B 9- ([1,1' -biphenyl ] -3-yl) -2' -bromo-2, 9' -bicarbazole and synthesis method thereof 河南省科学院化学研究所有限公司 2021-06-11 CN disclosed
CN-109232381-B 9- ([1,1' -biphenyl ] -3-yl) -2' -bromo-2, 9' -bicarbazole and synthesis method thereof 河南省科学院化学研究所有限公司 2021-06-11 CN disclosed