SCHEMBL26026709

SCHEMBL26026709

O=c1[nH]nc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c2cccc(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.46
CNR2 P34972 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
GUSB P08236 1/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSP90AA1 P07900 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 4/20 0.34

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
SCHEMBL26027642 0.88 TNKS (0.43) RARGALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL26026549 0.87 RARG (0.46) RARGCNR2GUSBALDH1A1LMNA
SCHEMBL29620356 0.87 RARG (0.46) RARGCNR2GUSBALDH1A1LMNA
SCHEMBL26026689 0.83 RARG (0.50) RARGGUSBALDH1A1LMNAKDM4E
SCHEMBL26027147 0.82 ALDH1A1 (0.39) RARGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29620364 0.77 ALDH1A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26027655 0.76 TNKS (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1AR
SCHEMBL27089947 0.74 PARP1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1PARP1
SCHEMBL26026865 0.73 RARG (0.44) RARGLMNAHTTARPARP1
SCHEMBL26026993 0.73 RARG (0.44) RARGLMNAHTTARPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154842-A1 THR BETA ANALOGS AND USES THEREOF MADRIGAL PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed