SCHEMBL3377260

SCHEMBL3377260

COC(=O)c1cc(-c2cccc(Cl)c2)c2ncc(C)n2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
GABRA5 P31644 1/20 0.43
HPGD P15428 1/20 0.41
SLC6A3 Q01959 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CTSA P10619 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SLC6A2 P23975 1/20 0.40
POLQ O75417 1/20 0.39
AXL P30530 1/20 0.38
JAK2 O60674 1/20 0.38
NPC1 O15118 1/20 0.38
FYN P06241 1/20 0.38
KDR P35968 1/20 0.38
MAP4K4 O95819 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
SCHEMBL3377441 0.89 NPC1 (0.46) SMN1; SMN2KMT2ALMNAMAPTRAB9A
SCHEMBL3381952 0.82 MAPK14 (0.43) MAPK14GABRA5SLC6A3KMT2ASLC6A2
SCHEMBL3381843 0.80 GPR119 (0.39) GABRA5HPGDSMN1; SMN2CTSAKMT2A
SCHEMBL3377871 0.79 MAPK14 (0.46) MAPK14GABRA5SLC6A3KMT2AMAPT
SCHEMBL3379666 0.79 MAPK14 (0.48) MAPK14GABRA5SLC6A3SLC6A2JAK2
SCHEMBL25149773 0.75 ATM (0.41) MAPK14KMT2ALMNAMAPTRAB9A
SCHEMBL3351243 0.74 MAP4K4 (0.59) MAPK14GABRA5SLC6A3SLC6A2FYN
SCHEMBL20345418 0.73 KDM4E (0.42) HPGDSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL2222523 0.73 GABRA5 (0.52) GABRA5HPGDSLC6A3SMN1; SMN2MAPT
SCHEMBL3378785 0.72 GABRA2 (0.47) SMN1; SMN2KMT2AMAPTRAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010058417-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed