SCHEMBL20530705

SCHEMBL20530705

c1cnc2c3c(ccc2c1)CNCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MMP2 P08253 2/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL22744401 0.85 SSTR4 (0.53) LMNATSHRKDM4EMAPTALOX15
SCHEMBL23074296 0.73 OXTR (0.47) LMNATSHRKDM4ETDP1NFKB1
SCHEMBL4152822 0.73 LMNA (0.52) LMNATSHRKDM4EMAPTALOX15
SCHEMBL24650562 0.73 SLC40A1 (0.40) LMNATSHRKDM4EMAPTALOX15
SCHEMBL10044970 0.69 LMNA (0.42) LMNATSHRKDM4EMAPTALOX15
Phenanthroline SCHEMBL28886042 0.69 CCR1 (0.94) LMNATSHRKDM4EMAPTALOX15
SCHEMBL11083143 0.67 LMNA (0.52) LMNATSHRKDM4EMAPTALOX15
SCHEMBL4307834 0.67 MAPT (0.52) LMNATSHRKDM4EMAPTALOX15
SCHEMBL8122888 0.67 LMNA (0.47) LMNATSHRKDM4EMAPTALOX15
Phenanthroline SCHEMBL8845760 0.66 CCR1 (1.00) LMNATSHRKDM4EMAPTALOX15

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