SCHEMBL20530716

SCHEMBL20530716

c1cnc2c3c(ccc2c1)CN(CC1CCCCC1)CO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HRH1 P35367 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
CYP1A2 P05177 1/20 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
SCHEMBL20530689 0.81 MEN1 (0.41) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL20530696 0.81 MEN1 (0.41) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL20530728 0.75 CYP1A2 (0.46) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL10044970 0.72 LMNA (0.42) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL20530714 0.72 SMN1; SMN2 (0.48) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL12011964 0.70 SLC40A1 (0.45) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL10311138 0.69 ALDH1A1 (0.45) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL10413672 0.69 CYP1A2 (0.44) KDM4EMAPTCYP1A2SIGMAR1
SCHEMBL20530717 0.69 GRIN2B (0.39) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL13926355 0.68 KDM4E (0.33) LMNAKDM4EMAPTHTTSMN1; SMN2

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