SCHEMBL17844163

SCHEMBL17844163

O=c1c(NCc2ccccc2)c(-c2ccccc2)sn1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.37
IKBKB O14920 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKCG P05129 1/20 0.36
PIM1 P11309 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL5185824 0.73 NPBWR1 (0.43) PDE9ALMNAHTTSMN1; SMN2MAPKAPK2
SCHEMBL3551960 0.73 BRD4 (0.39) SMN1; SMN2MAPKAPK2BRD4POLBXDH
SCHEMBL5186011 0.70 ALDH1A1 (0.48) LMNAHTTSMN1; SMN2BRD4POLB
SCHEMBL2000128 0.64 HRH3 (0.40) PDE9AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL3747115 0.62 MAPKAPK2 (0.66) LMNAHTTMAPKAPK2POLB
SCHEMBL21033019 0.62 MPI (0.58)
SCHEMBL21667330 0.62 ALDH1A1 (0.57) PDE9AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL21667310 0.61 ALDH1A1 (0.59) PDE9AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL8621565 0.61 MPI (0.57) SMN1; SMN2
SCHEMBL11562079 0.60 KMT2A (0.47) HTTPOLB

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed