SCHEMBL11550993

SCHEMBL11550993

COc1ccc(-c2sc3ccccc3c2Cc2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.52
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PTPN1 P18031 2/20 0.49
HSP90AA1 P07900 3/20 0.48
PAX8 Q06710 1/20 0.46
F2 P00734 3/20 0.45
VKORC1 Q9BQB6 1/20 0.44
APP P05067 1/20 0.44
ESR2 Q92731 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 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
SCHEMBL1680034 0.88 F2 (0.53) HSP90AA1F2APPESR2
SCHEMBL11577115 0.80 TUBB4A (0.49) ATMCNR1CNR2L3MBTL1TDP1
SCHEMBL7506626 0.79 PTPN1 (0.81) PTPN1HSP90AA1
SCHEMBL6172878 0.78 ESR1 (0.66) F2ESR2
SCHEMBL7411720 0.78 F2 (0.75) CNR1TDP1MEN1KMT2AF2
SCHEMBL6171204 0.78 F2 (0.75) CNR1TDP1MEN1KMT2AF2
SCHEMBL8012539 0.78 F2 (0.73) CNR1TDP1MEN1KMT2AF2
SCHEMBL7972975 0.77 F2 (0.63) PTPN1F2ESR2MAPK1
SCHEMBL20932951 0.77 LTA4H (0.50) ATMCNR2L3MBTL1TDP1MEN1
SCHEMBL6171704 0.76 F2 (0.75) F2ESR2

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-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed