SCHEMBL2319299

SCHEMBL2319299

COc1c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.70
KDM4E B2RXH2 7/20 0.56
CYP3A4 P08684 4/20 0.56
HSD17B10 Q99714 4/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP2D6 P10635 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TNKS O95271 1/20 0.53
PARP1 P09874 1/20 0.53
CSNK2A2 P19784 1/20 0.53

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
SCHEMBL253523 0.83 ABCG2 (1.00) ABCG2KDM4ECYP3A4HSD17B10CYP2C9
SCHEMBL29993383 0.83 ABCG2 (1.00) ABCG2KDM4ECYP3A4HSD17B10CYP2C9
SCHEMBL4650702 0.82 ABCG2 (1.00) ABCG2KDM4ECYP3A4HSD17B10CYP2C9
SCHEMBL1458117 0.81 ADORA3 (0.68) KDM4ECYP3A4HSD17B10TSHRMAPT
SCHEMBL5796864 0.81 ABCG2 (0.78) ABCG2KDM4ECYP3A4HSD17B10CYP2C9
SCHEMBL30558223 0.81 ALDH1A1 (0.58) ABCG2KDM4EHSD17B10CYP2C9CYP2C19
SCHEMBL29080560 0.81 ALDH1A1 (0.58) ABCG2KDM4EHSD17B10CYP2C9CYP2C19
SCHEMBL29080557 0.78 CYP19A1 (0.50) ABCG2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL30558211 0.78 CYP19A1 (0.50) ABCG2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL19833681 0.75 ABCG2 (0.68) ABCG2KDM4ECYP3A4HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025079110-A1 ATOVAQUONE FOR THE TREATMENT AND MANAGEMENT OF MUSCULAR DYSTROPHIES PEPTRIS TECHNOLOGIES PRIVATE LIMITED (IN) 2025-04-17 WO disclosed
CN-114901837-A Interleukin-4 inducible gene 1(IL4I1) and corresponding metabolites as biomarkers for cancer 德国癌症研究公共权益基金会 2022-08-12 CN disclosed
CN-114126634-A Interleukin-4 inducible gene 1(IL4I1) as biomarker and use thereof 德国癌症研究公共权益基金会 2022-03-01 CN disclosed
EP-3886893-A1 NANOPARTICLES FOR PREPARING REGULATORY B CELLS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2021-10-06 EP disclosed
WO-2020109352-A1 NANOPARTICLES FOR PREPARING REGULATORY B CELLS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2020-06-04 WO disclosed
WO-2019068048-A1 PLACENTA-DERIVED INTERMEDIATE NATURAL KILLER (PINK) CELLS FOR TREATMENT OF GLIOBLASTOMA Celularity, Inc. (US) 2019-04-04 WO disclosed
EP-2350078-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2011-08-03 EP disclosed
WO-2010059401-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-05-27 WO disclosed