SCHEMBL9800655

SCHEMBL9800655

O=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.64
MEN1 O00255 7/20 0.64
PDE7A Q13946 1/20 0.56
KDM4E B2RXH2 1/20 0.54
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 9/20 0.47
MAPT P10636 8/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GPR55 Q9Y2T6 1/20 0.46
SCN9A Q15858 1/20 0.45
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL28730677 0.85 PPARG (0.53) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL29612551 0.85 PPARG (0.53) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL1997355 0.84 KMT2A (0.56) KMT2AMEN1PDE7AKDM4EGAA
SCHEMBL9800709 0.83 ALDH1A1 (0.51) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL6725914 0.83 PDE7A (0.66) KMT2AMEN1PDE7AKDM4EGAA
SCHEMBL3822283 0.82 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL10654138 0.81 ALDH1A1 (0.53) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL366012 0.79 ALDH1A1 (0.62) KMT2AMEN1KDM4EGAAPKM
SCHEMBL9800640 0.79 MAPT (0.58) KMT2AMEN1PDE7AKDM4EALDH1A1
SCHEMBL14021995 0.79 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2SCN9ANPC1

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-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed