SCHEMBL16601817

SCHEMBL16601817

O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(S)cc1)c64)C(=O)N(c1ccc(S)cc1)C5=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
APAF1 O14727 1/20 0.56
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 4/20 0.42
USP2 O75604 3/20 0.42
MEN1 O00255 3/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL16601657 0.92 POLB (0.64) POLBAPAF1CA12CA9CA1
SCHEMBL20033857 0.88 POLB (0.45) POLBAPAF1CA12CA9CA1
SCHEMBL16601821 0.83 ANPEP (0.48) POLBAPAF1CA12CA9CA1
SCHEMBL29894269 0.81 KMT2A (0.61) POLBAPAF1CA12CA9CA1
SCHEMBL3401969 0.81 KMT2A (0.61) POLBAPAF1CA12CA9CA1
SCHEMBL24221089 0.81 POLB (0.56) POLBAPAF1CA12CA9CA1
SCHEMBL18347274 0.81 POLB (0.56) POLBAPAF1CA12CA9CA1
SCHEMBL9638650 0.81 ALDH1A1 (0.62) POLBAPAF1CA12CA9CA1
SCHEMBL9966873 0.81 POLB (0.56) POLBAPAF1CA12CA9CA1
SCHEMBL18378993 0.81 STAT3 (0.50) POLBAPAF1ALDH1A1KDM4ETDP1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed