SCHEMBL30807014

SCHEMBL30807014

O=c1cnc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
ALOX5 P09917 2/20 0.53
PTGS2 P35354 2/20 0.53
ALOX15 P16050 1/20 0.53
CFTR P13569 5/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR1 P21554 1/20 0.48
ACHE P22303 1/20 0.48
CNR2 P34972 1/20 0.48
PGR P06401 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL30806660 0.90 CFTR (0.52) PKMALOX5PTGS2ALOX15CFTR
SCHEMBL7969979 0.86 MAPT (0.50) MEN1KMT2ARAB9ACNR1ACHE
SCHEMBL30806751 0.83 ALOX5 (0.44) PKMALOX5PTGS2ALOX15CFTR
SCHEMBL15712417 0.79 ALDH1A1 (0.52) CFTRALDH1A1MEN1KMT2AGAA
SCHEMBL30806396 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1CNR1
SCHEMBL31441369 0.79 MEN1 (0.71) ALOX5PTGS2ALOX15CFTRMEN1
SCHEMBL28987743 0.79 MEN1 (0.71) ALOX5PTGS2ALOX15CFTRMEN1
SCHEMBL30806419 0.78 CFTR (0.60) ALOX5PTGS2ALOX15CFTRMEN1
SCHEMBL30806936 0.78 CFTR (0.65) ALOX5PTGS2ALOX15CFTRMEN1
SCHEMBL2965240 0.78 CFTR (0.50) ALOX5PTGS2ALOX15CFTRPGR

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