SCHEMBL1161541

SCHEMBL1161541

COc1cccc2c(=O)n(C)c(CI)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.45
LITAF Q99732 2/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HSP90AB1 P08238 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TNKS O95271 7/20 0.42
TNKS2 Q9H2K2 7/20 0.42

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
SCHEMBL1161666 0.81 ELANE (0.43) KDM4EHSD17B10KCNH2HRH3HSP90AB1
SCHEMBL1161764 0.80 NPC1 (0.45) KDM4EKCNH2HRH3HSP90AB1PARP1
SCHEMBL1161349 0.80 TRPV4 (0.41) KDM4EGAAHTTHSD17B10KCNH2
SCHEMBL7571452 0.80 HRH3 (0.50) TNFLITAFKDM4EALDH1A1HPGD
SCHEMBL1161747 0.78 ELANE (0.46) KDM4EALDH1A1HPGDKCNH2HRH3
SCHEMBL13833569 0.70 KDM4E (0.42) KDM4EHSD17B10KCNH2HRH3HSP90AB1
SCHEMBL28676361 0.70 SMN1; SMN2 (0.62) TNFLITAFKDM4EALDH1A1HPGD
SCHEMBL11284009 0.70 KCNH2 (0.45) TNFLITAFKDM4EALDH1A1GLA
SCHEMBL1161533 0.69 CYP3A4 (0.55) KDM4EALDH1A1GLAKCNH2HRH3
SCHEMBL1161641 0.69 ALPG (0.46) KDM4EALDH1A1HPGDGLAHSD17B10

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-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed