SCHEMBL11117790

SCHEMBL11117790

Nc1c(Oc2ccccc2O)cc(O)c2c1C(=O)c1cccc(Cl)c1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
AR P10275 2/20 0.41
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MCL1 Q07820 2/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 3/20 0.39
HPGD P15428 3/20 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
SCHEMBL9161384 0.87 MEN1 (0.49) EGFRPIM1CYP1A1CYP1A2TDP1
SCHEMBL27919400 0.86 CYP1A1 (0.47) CYP1A1CYP1A2TDP1MEN1KMT2A
SCHEMBL11862018 0.86 ADORA2A (0.43) EGFRPIM1ARCYP1A1CYP1A2
SCHEMBL8729470 0.78 MEN1 (0.51) EGFRPIM1CYP1A1CYP1A2TDP1
SCHEMBL9156123 0.78 ADORA2A (0.50) CYP1A1CYP1A2TDP1MEN1KMT2A
SCHEMBL11603280 0.77 CYP1A1 (0.41) ARCYP1A1CYP1A2TDP1MEN1
SCHEMBL10812235 0.77 ADORA2A (0.52) CYP1A1TDP1MEN1KMT2AMAPT
SCHEMBL10488104 0.77 CYP1A1 (0.41) ARCYP1A1CYP1A2TDP1MEN1
SCHEMBL8734283 0.76 CYP1A1 (0.47) EGFRPIM1CYP1A1CYP1A2TDP1
SCHEMBL9156103 0.76 MAPT (0.49) EGFRPIM1CYP1A1CYP1A2TDP1

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-4436906-A Anthraquinone dyes for cellulose-containing fibers and process for producing the same MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1984-03-13 US disclosed