SCHEMBL9538480

SCHEMBL9538480

O=C1OC2(c3cc(Cl)c(O)cc3Oc3cc(O)c(Cl)cc32)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.46
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 3/20 0.45
CYP2C19 P33261 2/20 0.45
BLM P54132 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
SMAD3 P84022 1/20 0.45
PRMT1 Q99873 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
ALDH1A1 P00352 4/20 0.41
GSTP1 P09211 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
GNG2 P59768 1/20 0.38

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
SCHEMBL3708020 0.83 FTO (0.66) FTOMEN1MAPTKMT2AHTT
SCHEMBL9538912 0.81 FTO (0.69) FTOMEN1MAPTKMT2AHTT
Dichlorofluorescein SCHEMBL30606648 0.80 MAPT (0.64) FTOMEN1MAPTKMT2AHTT
Dichlorofluorescein SCHEMBL29364373 0.80 MAPT (0.64) FTOMEN1MAPTKMT2AHTT
Dichlorofluorescein SCHEMBL157703 0.80 MAPT (0.64) FTOMEN1MAPTKMT2AHTT
SCHEMBL938920 0.80 DHFR (0.39) FTOMEN1MAPTKMT2AHTT
Dichlorofluorescein SCHEMBL25207800 0.79 MAPT (0.63) FTOMEN1MAPTKMT2AHTT
SCHEMBL1470877 0.79 GSTP1 (0.60) FTOMEN1MAPTKMT2AHTT
SCHEMBL29371871 0.79 FTO (0.47) FTOMEN1MAPTKMT2AHTT
SCHEMBL1299465 0.79 FTO (0.47) FTOMEN1MAPTKMT2AHTT

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
US-5208148-A Leuco xanthene dyes MOLECULAR PROBES, INC. (US) 1993-05-04 US disclosed
EP-0185547-B1 POLYNUCLEOTIDE HYBRIDIZATION ASSAYS EMPLOYING CATALYZED LUMINESCENCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-03 EP disclosed