SCHEMBL8228754

SCHEMBL8228754

Cc1c(N)cc(C(=O)NCCN(C)CCNC(=O)c2cc(N)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ELANE P08246 5/20 0.47
NOTUM Q6P988 1/20 0.45
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CCR1 P32246 2/20 0.41
POLB P06746 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
CYP1A2 P05177 1/20 0.39
MCHR1 Q99705 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL8228763 0.94 ELANE (0.47) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL8053624 0.88 ELANE (0.49) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL8234302 0.88 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL8065188 0.85 ELANE (0.63) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL8065817 0.84 ELANE (0.42) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL1604233 0.79 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL8237728 0.79 ELANE (0.41) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL4024439 0.79 ELANE (0.76) ELANE
SCHEMBL8220630 0.76 ELANE (0.38) KDM4EALDH1A1SMN1; SMN2ELANENOTUM
SCHEMBL8234449 0.76 ELANE (0.54) KDM4EALDH1A1SMN1; SMN2ELANENOTUM

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
WO-2007107706-A2 DIMERS OF HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF COPD ARGENTA DISCOVERY LIMITED (GB) 2007-09-27 WO disclosed