SCHEMBL5010981

SCHEMBL5010981

CC1CN(c2c(C=O)cc(-c3nnc(-c4ccncc4)s3)c(F)c2F)CC(C)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
PIK3CA P42336 5/20 0.34
PIK3R1 P27986 4/20 0.34
MTOR P42345 2/20 0.34
HSD17B10 Q99714 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
LRRK2 Q5S007 2/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.31
BLM P54132 2/20 0.31
GAK O14976 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL5012837 0.92 ALDH1A1 (0.38) KDM4EHTTHSD17B10SMN1; SMN2GAA
SCHEMBL5014312 0.87 HRH3 (0.37) KDM4EHTTNPC1MTORSMN1; SMN2
SCHEMBL5012148 0.86 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A
SCHEMBL5011042 0.85 KDM4E (0.34) KDM4EHTTGAAALDH1A1RAB9A
SCHEMBL5011046 0.85 KDM4E (0.34) KDM4EHTTGAAALDH1A1RAB9A
SCHEMBL5012158 0.85 KDM4E (0.34) KDM4EHTTGAAALDH1A1RAB9A
SCHEMBL5015616 0.84 ALDH1A1 (0.39) KDM4EHTTNPC1MTORHSD17B10
SCHEMBL5063593 0.83 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A
SCHEMBL5012206 0.83 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A
SCHEMBL5012744 0.83 KDM4E (0.33) KDM4EHTTALDH1A1RAB9A

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