SCHEMBL6587569

SCHEMBL6587569

Cc1c(-c2nc3c(OC(N)=O)cccc3[nH]2)cnn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
LMNA P02545 2/20 0.36
MGAM O43451 3/20 0.35
GAA P10253 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CNR1 P21554 2/20 0.35
AMY1A P0DUB6 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL6585205 0.87 PARP1 (0.42) PARP1LMNAMGAMGAASI
SCHEMBL6587656 0.87 PARP1 (0.38) PARP1
SCHEMBL6804441 0.86 PARP1 (0.55) PARP1
SCHEMBL6587520 0.82 PARP1 (0.46) PARP1LMNAMGAMGAASI
SCHEMBL6589144 0.81 PARP1 (0.42) PARP1LMNAMGAMGAASI
SCHEMBL6587124 0.77 PARP1 (0.43) PARP1MGAMGAASIMGAM2
SCHEMBL6804448 0.75 GRM2 (0.38) PARP1LMNACNR1PPARAALOX12
SCHEMBL6588299 0.74 PARP1 (0.47) PARP1MGAMGAASIMGAM2
SCHEMBL6585330 0.73 PARP1 (0.43) PARP1KMT2A
SCHEMBL6807418 0.73 PARP1 (0.53) PARP1

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
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed