SCHEMBL30806751

SCHEMBL30806751

O=c1cnc2cc([N+](=O)[O-])ccc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
PTGS2 P35354 2/20 0.44
TNIK Q9UKE5 1/20 0.43
FEN1 P39748 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 2/20 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
SCHEMBL30806921 0.83 TNIK (0.45) TNIKFEN1GRIN1GRIN2BKMT2A
SCHEMBL30807014 0.83 PKM (0.55) ALOX5PTGS2KMT2ACYP1A2CYP3A4
SCHEMBL30806660 0.82 CFTR (0.52) ALOX5PTGS2KMT2ACYP1A2CYP3A4
SCHEMBL30806896 0.82 ALOX5 (0.45) ALOX5PTGS2FEN1KMT2AMEN1
SCHEMBL7969979 0.77 MAPT (0.50) KMT2AMEN1MAPT
SCHEMBL3505585 0.75 SERPINE1 (0.51) KMT2AMEN1MAPT
SCHEMBL30806363 0.74 CNR1 (0.45) TNIKALOX5AP
SCHEMBL1130974 0.69 KMT2A (0.58) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL29469269 0.69 KMT2A (0.58) KMT2ATSHRMEN1ALDH1A1LMNA
SCHEMBL7979757 0.68 MAPT (0.50) KMT2AMEN1MAPT

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-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