SCHEMBL22135367

SCHEMBL22135367

COc1ccc2c(c1)ncn2CCCCNc1ccc(C(N)=O)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPT P10636 5/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRSS1 P07477 6/20 0.41
PTGER4 P35408 2/20 0.41
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL22136296 0.86 PRSS1 (0.46) MAPTKDM4EALDH1A1PRSS1LMNA
SCHEMBL22135368 0.80 ADORA2A (0.51) MTNR1AMTNR1BKDM4EALDH1A1KMT2A
SCHEMBL22428322 0.74 PRSS1 (0.71) MAPTHSD17B10GAAKDM4EALDH1A1
SCHEMBL29513036 0.74 PRSS1 (0.71) MAPTHSD17B10GAAKDM4EALDH1A1
SCHEMBL22134963 0.73 HPGD (0.62) MAPTHSD17B10KDM4EKMT2ALMNA
SCHEMBL22135376 0.73 MAPT (0.52) MTNR1AMTNR1BMAPTHSD17B10GAA
SCHEMBL31494211 0.73 GAA (0.74) MAPTHSD17B10GAAKDM4EALDH1A1
SCHEMBL29868630 0.73 STING1 (0.51) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL29868198 0.72 HPGD (0.67) MAPTHSD17B10GAAKDM4EKMT2A
SCHEMBL7874916 0.72 MAPT (0.55) MTNR1AMTNR1BMAPTHSD17B10GAA

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