SCHEMBL25329286

SCHEMBL25329286

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
PKM P14618 1/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
FABP4 P15090 1/20 0.41
ALDH1A1 P00352 4/20 0.41

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
SCHEMBL15834222 0.88 TDP1 (0.72) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL25329111 0.87 POLB (0.58) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL30515532 0.84 ALDH1A1 (0.41) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL6217472 0.84 ALDH1A1 (0.41) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL1554733 0.83 KDM4E (0.61) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL19877768 0.82 POLB (0.59) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL1553814 0.80 TDP1 (0.56) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL31143111 0.79 TDP1 (0.51) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL8161303 0.79 GPR35 (0.42) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL29792549 0.79 LMNA (0.53) TDP1L3MBTL1KDM4EHTTLMNA

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
WO-2023143135-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2023-08-03 WO disclosed
CN-116514728-A Quinazoline derivative and application thereof 赛诺哈勃药业(成都)有限公司 2023-08-01 CN disclosed