SCHEMBL16601820

SCHEMBL16601820

CCc1cccc(C)c1N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1cccc(C(=O)O)c1)C5=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.56
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
S100B P04271 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 3/20 0.43
CASP6 P55212 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
ANPEP P15144 1/20 0.43
DPP4 P27487 1/20 0.43
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL16601674 0.89 KMT2A (0.58) TYMSMEN1KMT2AALDH1A1KDM4E
SCHEMBL16602052 0.84 KMT2A (0.70) TYMSMEN1KMT2AALDH1A1KDM4E
SCHEMBL16601833 0.82 ANPEP (0.44) TYMSMEN1KMT2AALDH1A1KDM4E
SCHEMBL16601631 0.80 DPP4 (0.46) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL14172750 0.79 KMT2A (0.72) TYMSMEN1KMT2AALDH1A1KDM4E
SCHEMBL13045764 0.79 DPP4 (0.55) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL16601770 0.79 NPC1 (0.66) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL18201564 0.79 NPC1 (0.69) TYMSMEN1KMT2AALDH1A1KDM4E
SCHEMBL16601825 0.78 DPP4 (0.43) MEN1KMT2AALDH1A1HSD17B10ANPEP
SCHEMBL16601652 0.78 DPP4 (0.45) TYMSMEN1KMT2AALDH1A1KDM4E

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