SCHEMBL20530692

SCHEMBL20530692

Fc1cnc2c3c(ccc2c1)CN(C1CCCCC1)CO3

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
HTR1A P08908 2/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK14 Q16539 1/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL20530689 0.80 MEN1 (0.41) HSD17B10KDM4EALDH1A1LMNA
SCHEMBL20530696 0.80 MEN1 (0.41) HSD17B10KDM4EALDH1A1LMNA
SCHEMBL20530703 0.71 CYP1A2 (0.43) KDM4ELMNA
SCHEMBL16726852 0.67 CCR1 (0.42) HSD17B10HTR1AKDM4EALDH1A1LMNA
SCHEMBL16713122 0.67 KDM4E (0.55) HSD17B10HTR1AKDM4EALDH1A1LMNA
SCHEMBL20530688 0.67 KDM4E (0.55) HSD17B10HTR1AKDM4EALDH1A1LMNA
SCHEMBL16545821 0.65 CCR1 (0.52) KDM4ELMNAL3MBTL1
SCHEMBL20530717 0.64 GRIN2B (0.39) HSD17B10KDM4EALDH1A1LMNA
SCHEMBL20530716 0.62 LMNA (0.39) KDM4EALDH1A1LMNA
SCHEMBL21160628 0.62 CYP1A2 (0.38) HSD17B10KDM4E

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-3388419-A1 GLI1 INHIBITORS AND USES THEREOF Leadiant Biosciences SA (CH) 2018-10-17 EP claimed
EP-3388419-A1 GLI1 INHIBITORS AND USES THEREOF Leadiant Biosciences SA (CH) 2018-10-17 EP disclosed