SCHEMBL5522909

SCHEMBL5522909

CNc1ccc(F)c2c(NC)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
USP2 O75604 2/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 1/20 0.45
IDO1 P14902 1/20 0.42
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.35
EGFR P00533 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5511732 0.83 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL5507586 0.83 IDO1 (0.52) MEN1KMT2AUSP2IDO1MAPT
SCHEMBL5512067 0.80 USP2 (0.33) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL5514303 0.77 MEN1 (0.36) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8852094 0.77 IDO1 (0.57) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL27937813 0.77 IDO1 (0.47) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL5508797 0.76 IDO1 (0.34) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL5513266 0.76 USP2 (0.34) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL22989728 0.75 ACLY (0.39) MEN1KMT2AUSP2MAPTTDP1
Hydrochloric Acid SCHEMBL27680798 0.75 IDO1 (0.55) MEN1KMT2AUSP2KEAP1NFE2L2

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed