SCHEMBL9800709

SCHEMBL9800709

O=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HSPB1 P04792 1/20 0.47
CHEK2 O96017 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10654138 0.89 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL11012641 0.89 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC8HDAC6MEN1
SCHEMBL9800655 0.83 KMT2A (0.64) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL366012 0.83 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL3141283 0.83 HTT (0.44) ALDH1A1HDAC1HDAC8HDAC6MEN1
SCHEMBL29612551 0.83 PPARG (0.53) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL28730677 0.83 PPARG (0.53) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL17164822 0.83 NPC1 (0.61) ALDH1A1MEN1KMT2AHTTMAPT
Hydrochloric Acid SCHEMBL27777765 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL13548668 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTMAPT

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