SCHEMBL28529013

SCHEMBL28529013

COC(=O)[C@@H](C)Oc1c(F)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
SRD5A2 P31213 1/20 0.36
TPMT P51580 1/20 0.35
ERN1 O75460 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL18304994 1.00 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL30806393 0.87 KMT2A (0.42) ALDH1A1KMT2AMEN1ABCB1ABCC1
SCHEMBL28082067 0.87 KMT2A (0.42) ALDH1A1KMT2AMEN1ABCB1ABCC1
SCHEMBL30806384 0.87 KMT2A (0.42) ALDH1A1KMT2AMEN1ABCB1ABCC1
SCHEMBL28082066 0.87 KMT2A (0.42) ALDH1A1KMT2AMEN1ABCB1ABCC1
SCHEMBL18128029 0.87 SRD5A2 (0.39) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL20138082 0.87 SRD5A2 (0.39) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL28463373 0.85 MAPT (0.38) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL28457435 0.85 MAPT (0.38) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL28457438 0.85 MAPT (0.38) ALDH1A1KMT2AMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed