SCHEMBL25242510

SCHEMBL25242510

NC(=O)Oc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KIF11 P52732 1/20 0.41
RAPGEF3 O95398 1/20 0.41
TTR P02766 4/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.39
HIF1A Q16665 2/20 0.39
CASP6 P55212 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 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
SCHEMBL7161701 0.87 ALDH1A1 (0.50) TDP1ATMMEN1KMT2ATTR
SCHEMBL27357985 0.84 ATM (0.51) TDP1ATMMEN1KMT2ARAPGEF3
SCHEMBL7549531 0.81 TDP1 (0.49) TDP1ATMMEN1KMT2ARAPGEF3
SCHEMBL28474988 0.81 TSHR (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6036166 0.80 ELANE (0.47) TDP1ATMMEN1KMT2ARAPGEF3
SCHEMBL28655379 0.80 TDP1 (0.47) TDP1ATMMEN1KMT2ARAPGEF3
SCHEMBL4687248 0.80 HSPB1 (0.45) TDP1ATMMEN1KMT2AKIF11
SCHEMBL17786752 0.79 ATM (0.62) TDP1ATMMEN1KMT2ARAPGEF3
SCHEMBL2937774 0.79 ATM (0.46) TDP1ATMMEN1KMT2ARAPGEF3
SCHEMBL28911140 0.79 KMT2A (0.53) TDP1ATMMEN1KMT2ARAPGEF3

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-116406360-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-07-07 CN disclosed
EP-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 EP disclosed
CN-113444016-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-09-28 CN disclosed
CN-107734969-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-06-01 CN disclosed