SCHEMBL30006201

SCHEMBL30006201

Cc1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
CYP3A4 P08684 1/20 0.67
ALDH1A1 P00352 3/20 0.54
CYP2D6 P10635 1/20 0.54
GPR35 Q9HC97 1/20 0.50
CYP1A2 P05177 1/20 0.46
KAT2B Q92831 2/20 0.45
ACHE P22303 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PMM2 O15305 1/20 0.43
MPI P34949 1/20 0.43

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
SCHEMBL810629 1.00 TSHR (0.67) TSHRCYP3A4ALDH1A1CYP2D6GPR35
SCHEMBL2970916 0.83 TSHR (0.67) TSHRCYP3A4GPR35CYP1A2KAT2B
SCHEMBL294724 0.80 TSHR (1.00) TSHRCYP3A4ALDH1A1GPR35KAT2B
SCHEMBL9187479 0.79 TSHR (0.45) TSHRCYP3A4ALDH1A1CYP2D6GPR35
SCHEMBL29395434 0.78 S100A4 (0.56) CYP3A4ALDH1A1CYP2D6CYP1A2KDM4E
SCHEMBL29613904 0.78 TSHR (0.72) TSHRCYP3A4ALDH1A1GPR35KAT2B
SCHEMBL171914 0.78 TSHR (0.72) TSHRCYP3A4ALDH1A1GPR35KAT2B
SCHEMBL11189916 0.78 TSHR (0.72) TSHRCYP3A4ALDH1A1GPR35KAT2B
SCHEMBL24508 0.78 S100A4 (0.56) CYP3A4ALDH1A1CYP2D6CYP1A2KDM4E
SCHEMBL29364870 0.77 TDP1 (0.61) TSHRCYP3A4ALDH1A1CYP2D6GPR35

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
EP-4594445-A1 CHEMICAL COMPOSITION, OPTOELECTRONIC COMPONENT COMPRISING AT LEAST ONE CHEMICAL COMPOSITION OF THIS TYPE, AND USE OF AT LEAST ONE CHEMICAL COMPOSITION OF THIS TYPE IN AN OPTOELECTRONIC COMPONENT Heliatek GmbH (DE) 2025-08-06 EP disclosed
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
WO-2024067923-A1 CHEMICAL COMPOSITION, OPTOELECTRONIC COMPONENT COMPRISING AT LEAST ONE CHEMICAL COMPOSITION OF THIS TYPE, AND USE OF AT LEAST ONE CHEMICAL COMPOSITION OF THIS TYPE IN AN OPTOELECTRONIC COMPONENT HELIATEK GMBH (DE) 2024-04-04 WO disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP disclosed