SCHEMBL30673293

SCHEMBL30673293

COc1ccc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
ERN1 O75460 1/20 0.39
PKM P14618 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL16738853 1.00 TDP1 (0.49) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL2494137 0.85 TDP1 (0.51) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL30439274 0.85 TDP1 (0.51) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL25411924 0.82 ALDH1A1 (0.37) TDP1ALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL593690 0.81 TDP1 (0.49) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL31180316 0.80 TDP1 (0.47) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL21487389 0.80 TDP1 (0.51) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL21624339 0.80 TDP1 (0.47) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL31180312 0.80 TDP1 (0.47) TDP1KDM4EPOLBL3MBTL1CTDSP1
SCHEMBL25280185 0.80 TDP1 (0.51) TDP1KDM4EPOLBL3MBTL1CTDSP1

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
EP-4518974-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS Interline Therapeutics, Inc. (US) 2025-03-12 EP disclosed
WO-2023239941-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC. (US) 2023-12-14 WO disclosed