SCHEMBL6829319

SCHEMBL6829319

O=C(O)CCc1cccc2[nH]c(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
GPR17 Q13304 3/20 0.44
PRKAG1 P54619 3/20 0.40
PRKAA2 P54646 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
FFAR1 O14842 3/20 0.40
PARP1 P09874 2/20 0.40
PRKAA1 Q13131 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PARP2 Q9UGN5 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9588105 0.82 CHRM1 (0.46) CHRM1GPR17PARP1PARP2PTGER1
SCHEMBL11398553 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1
SCHEMBL6946391 0.78 CHRM1 (0.55) CHRM1PRKAG1PRKAA2PRKAB1FFAR1
SCHEMBL7260713 0.78 NPC1 (0.46) PARP1NPC1RAB9ACNR2ALDH1A1
SCHEMBL15111647 0.78 GAA (0.42) PARP1NPC1RAB9AKDM4ECNR2
SCHEMBL6829325 0.77 CHRM1 (0.46) CHRM1GPR17PRKAG1PRKAA2PRKAB1
SCHEMBL9589858 0.75 CHRM1 (0.39) CHRM1PARP1PARP2PTGER1PTGER4
SCHEMBL9591447 0.74 MEN1 (0.43) CHRM1GPR17KDM4ECNR2ALDH1A1
SCHEMBL9307952 0.74 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1
SCHEMBL5790951 0.74 PARP1 (0.43) CHRM1GPR17FFAR1PARP1PARP2

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-2004108723-A1 4,5-DIHYDRO-IMIDAZO[4,5,1-II]QUINOLIN-6-ONES AS PARP INHIBITORS ALTANA PHARMA AG (DE) 2004-12-16 WO disclosed
WO-2003104233-A1 4,5-DIHYDRO-IMIDAZO (4,5,1-IJ) QUINOLIN-6-ONES DERIVATIVES AND THEIR USE AS POLY (ADP-RIBOSYL) TRANSFERASE (PARP) INHIBITORS ALTANA PHARMA AG (DE) 2003-12-18 WO disclosed