SCHEMBL22135331

SCHEMBL22135331

CCCCNc1ccc(C(N)=O)cc1N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.59
PTGER4 P35408 4/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
GFER P55789 1/20 0.55
PLEC Q15149 1/20 0.55
HSD17B10 Q99714 1/20 0.53
HCAR3 P49019 2/20 0.49
ERAP2 Q6P179 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45

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
SCHEMBL22118804 0.91 GAA (0.58) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22428322 0.91 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL29512975 0.91 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22908881 0.91 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL29513036 0.91 PRSS1 (0.71) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL9525197 0.88 KDM4E (0.72) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL22908891 0.87 PRSS1 (0.69) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL31494211 0.84 GAA (0.74) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL11232662 0.83 ALDH1A1 (0.54) PRSS1PTGER4GAAKDM4EALDH1A1
SCHEMBL19436451 0.82 PRSS1 (0.60) PRSS1PTGER4GAAKDM4EALDH1A1

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-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed