SCHEMBL11548331

SCHEMBL11548331

COc1ccc(C(=O)c2c(-c3ccccc3)sc3ccccc23)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.92
CNR1 P21554 3/20 0.92
TDP1 Q9NUW8 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
ATM Q13315 1/20 0.70
ESR1 P03372 8/20 0.64
ESR2 Q92731 8/20 0.64
MAOB P27338 1/20 0.61
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
TUBA1C Q9BQE3 1/20 0.56

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
SCHEMBL6173140 0.96 CNR2 (1.00) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL11548696 0.95 CNR2 (0.92) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL25079641 0.91 CNR2 (0.90) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL7411734 0.91 CNR2 (0.90) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL6595048 0.91 CNR2 (0.90) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL11547494 0.91 CNR2 (0.76) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL8017126 0.90 CNR2 (0.89) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL11549590 0.90 CNR2 (0.88) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL6173019 0.90 CNR2 (0.88) CNR2CNR1TDP1L3MBTL1ATM
SCHEMBL11552625 0.90 CNR2 (0.88) CNR2CNR1TDP1L3MBTL1ATM

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