SCHEMBL22609609

SCHEMBL22609609

O=C(OCBr)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.62
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
ALOX5 P09917 1/20 0.57
CES1 P23141 1/20 0.57
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL7221510 0.88 ATM (0.65) GSK3BATML3MBTL1KMT2AMEN1
SCHEMBL813536 0.87 KMT2A (0.71) GSK3BATML3MBTL1KMT2AMEN1
SCHEMBL1892189 0.84 ATM (0.60) GSK3BATML3MBTL1KMT2AMEN1
SCHEMBL9317594 0.84 KMT2A (0.59) GSK3BATML3MBTL1KMT2AMEN1
SCHEMBL7074293 0.84 MEN1 (0.68) ATML3MBTL1KMT2AMEN1ALDH1A1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.84 KCNJ1 (0.68) ATML3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11843509 0.84 KMT2A (0.59) GSK3BATML3MBTL1KMT2AMEN1
SCHEMBL11309248 0.84 MEN1 (0.68) ATML3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6771599 0.82 ALDH1A1 (0.64) GSK3BATML3MBTL1KMT2AMEN1
SCHEMBL9420481 0.82 KMT2A (0.66) GSK3BATML3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed