SCHEMBL16601982

SCHEMBL16601982

O=C(O)Cc1ccccc1N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(=O)O)C5=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TERT O14746 3/20 0.38
PIN1 Q13526 1/20 0.37
PIN4 Q9Y237 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL16601837 0.84 CA12 (0.43) CA12CA9KMT2AKDM4EMEN1
SCHEMBL13148744 0.81 KDM4E (0.62) CA12CA9KMT2AKDM4EMEN1
SCHEMBL16601804 0.79 KDM4E (0.51) CA12CA9KMT2AKDM4EMEN1
SCHEMBL6690679 0.78 NR1H3 (0.61) CA12CA9ALDH1A1AKR1B1NR1H2
SCHEMBL12606551 0.76 KDM4E (0.56) CA12CA9KMT2AKDM4EMEN1
SCHEMBL16601772 0.75 NR1H3 (0.50) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL860250 0.75 CA12 (0.70) CA12CA9KMT2AKDM4EMEN1
SCHEMBL15521020 0.73 CA12 (0.49) CA12CA9KMT2AKDM4EMEN1
SCHEMBL16601836 0.73 ALDH1A1 (0.54) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL22018376 0.72 MEN1 (0.55) CA12CA9KMT2AKDM4EMEN1

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