SCHEMBL22609396

SCHEMBL22609396

NC(=O)c1n[nH]c(-c2ccc(Br)nc2)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
LMNA P02545 2/20 0.33
CDC7 O00311 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNMA1 Q12791 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
GAA P10253 1/20 0.31
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
XDH P47989 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
SCHEMBL22609379 0.85 MAPT (0.40) MAPTALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL166629 0.80 CDC7 (0.39) MAPTALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL22609364 0.78 PRKAB2 (0.38) MAPTALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL22609500 0.74 ABCC8 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22609420 0.69 ABCC8 (0.32) ABCC8KCNJ11
SCHEMBL2911881 0.66 KDM4E (0.34) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL27807785 0.65 KDM4E (0.39) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL6365854 0.64 SMN1; SMN2 (0.37) MAPTALDH1A1KDM4EPOLBCTDSP1
SCHEMBL21070075 0.63 LMNA (0.39) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL6366645 0.63 ALDH1A1 (0.39) MAPTALDH1A1KDM4EPOLBCTDSP1

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