SCHEMBL11534831

SCHEMBL11534831

O=[N+]([O-])c1cc(C(c2c(O)ccc3ccccc23)c2c(O)ccc3ccccc23)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
KMT2A Q03164 10/20 0.47
MEN1 O00255 9/20 0.47
DNMT1 P26358 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
MAPT P10636 6/20 0.46
HTT P42858 5/20 0.46
NPSR1 Q6W5P4 5/20 0.46
LMNA P02545 5/20 0.46
GAA P10253 2/20 0.45
RRM1 P23921 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
VCAM1 P19320 2/20 0.42
HPRT1 P00492 1/20 0.42
CASP6 P55212 1/20 0.42
CTSB P07858 1/20 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
SCHEMBL11536829 0.82 MEN1 (0.45) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL11536669 0.79 KMT2A (0.65) TNFNOD1KMT2AMEN1MAPT
SCHEMBL11537513 0.75 NQO1 (0.54) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL17787304 0.74 MEN1 (0.58) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL11539377 0.73 MEN1 (0.45) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL11539885 0.71 AHR (0.53) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL9423470 0.71 AHR (0.52) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL9423648 0.70 MEN1 (0.56) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL30738449 0.70 MEN1 (0.56) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL11537803 0.70 MEN1 (0.48) KMT2AMEN1MAPTHTTNPSR1

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
US-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 US disclosed