SCHEMBL22136296

SCHEMBL22136296

NC(=O)c1ccc(NCCCCn2cnc3ccccc32)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.46
EGLN3 Q9H6Z9 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
PLAA Q9Y263 1/20 0.42

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
SCHEMBL22135367 0.86 MTNR1A (0.45) PRSS1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL29513036 0.79 PRSS1 (0.71) PRSS1KDM4EHTTALDH1A1MAPT
SCHEMBL22428322 0.79 PRSS1 (0.71) PRSS1KDM4EHTTALDH1A1MAPT
SCHEMBL29512975 0.76 PRSS1 (0.71) PRSS1KDM4EHTTALDH1A1MAPT
SCHEMBL22908881 0.76 PRSS1 (0.71) PRSS1KDM4EHTTALDH1A1MAPT
SCHEMBL22136293 0.75 CXCR4 (0.53) EGLN3TDP1
SCHEMBL22908891 0.73 PRSS1 (0.69) PRSS1KDM4EHTTALDH1A1MAPT
SCHEMBL2841675 0.73 EGLN3 (0.61) EGLN3TDP1SMN1; SMN2KDM4ELMNA
SCHEMBL5093875 0.73 MAPK8 (0.48) EGLN3
SCHEMBL4558106 0.72 EGLN3 (0.64) EGLN3TDP1SMN1; SMN2KDM4ELMNA

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed