SCHEMBL5012837

SCHEMBL5012837

CC1CN(c2c(C=O)cc(-c3nnc(-c4ccccc4)s3)c(F)c2F)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GAK O14976 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL5010981 0.92 KDM4E (0.34) ALDH1A1KDM4EHPGDRAB9AGAK
SCHEMBL5014312 0.91 HRH3 (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5015616 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL5012158 0.85 KDM4E (0.34) ALDH1A1KDM4EL3MBTL1RAB9AGAA
SCHEMBL5011042 0.85 KDM4E (0.34) ALDH1A1KDM4EL3MBTL1RAB9AGAA
SCHEMBL5011046 0.85 KDM4E (0.34) ALDH1A1KDM4EL3MBTL1RAB9AGAA
SCHEMBL5012148 0.84 KDM4E (0.33) ALDH1A1KDM4ERAB9AHTT
SCHEMBL5012206 0.83 KDM4E (0.33) ALDH1A1KDM4ERAB9AHTT
SCHEMBL5063593 0.83 KDM4E (0.33) ALDH1A1KDM4ERAB9AHTT
SCHEMBL5010975 0.83 KDM4E (0.33) ALDH1A1KDM4ERAB9AHTT

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
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed