SCHEMBL21394517

SCHEMBL21394517

CN1N=C(C(=O)Nc2ncc(Cc3ccc4ccccc4n3)s2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
RAB9A P51151 8/20 0.43
GAA P10253 2/20 0.43
OGA O60502 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 6/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
ABL1 P00519 2/20 0.38
MAPK1 P28482 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
SCHEMBL21394669 0.84 RAB9A (0.56) MAPTRAB9AGAAKDM4ELMNA
SCHEMBL21394504 0.83 PDE5A (0.46) MAPTRAB9AGAAKDM4EHTT
SCHEMBL21394850 0.81 ABL1 (0.57) MAPTRAB9AGAAKDM4ELMNA
SCHEMBL21394796 0.81 POLB (0.59) MAPTRAB9AGAAKDM4ELMNA
SCHEMBL21394906 0.79 POLB (0.46) MAPTRAB9AGAAKDM4ELMNA
SCHEMBL21395177 0.79 MEN1 (0.56) MAPTRAB9AGAAKDM4EHTT
SCHEMBL21395007 0.79 RAB9A (0.59) MAPTRAB9AGAAKDM4EHTT
SCHEMBL22479443 0.79 MEN1 (0.46) MAPTRAB9AGAAKDM4ELMNA
SCHEMBL21394882 0.78 SCD (0.52) MAPTRAB9AGAAKDM4EHTT
SCHEMBL21394864 0.78 LMNA (0.62) MAPTRAB9AGAAKDM4EHTT

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed