SCHEMBL627775

SCHEMBL627775

C=CCn1nnc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 16/20 0.62
IDO1 P14902 15/20 0.62
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TOP2A P11388 2/20 0.47
DHODH Q02127 1/20 0.47

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
SCHEMBL22699080 0.74 TDO2 (0.72) TDO2IDO1HPGDMAPK1HTT
SCHEMBL22698971 0.72 TDO2 (1.00) TDO2IDO1HPGDMAPK1HTT
SCHEMBL22699001 0.72 TDO2 (0.79) TDO2IDO1HPGDMAPK1HTT
SCHEMBL628393 0.72 CASP3 (0.53) HTTSMN1; SMN2TOP2A
SCHEMBL22698975 0.71 TDO2 (0.81) TDO2IDO1HPGDMAPK1HTT
SCHEMBL22698982 0.71 TDO2 (0.78) TDO2IDO1HPGDMAPK1HTT
SCHEMBL22698996 0.70 TDO2 (1.00) TDO2IDO1HPGDMAPK1HTT
SCHEMBL22699022 0.70 TDO2 (1.00) TDO2IDO1HPGDMAPK1HTT
SCHEMBL22699007 0.70 TDO2 (0.74) TDO2IDO1HPGDMAPK1HTT
SCHEMBL22699004 0.70 TDO2 (0.73) TDO2IDO1HPGDMAPK1HTT

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-2012021409-A3 Anthraquinone Analogs UTAH STATE UNIVERSITY (US) 2012-05-24 WO disclosed
WO-2012021409-A2 Anthraquinone Analogs UTAH STATE UNIVERSITY (US) 2012-02-16 WO disclosed
WO-2012021409-A2 Anthraquinone Analogs UTAH STATE UNIVERSITY (US) 2012-02-16 WO disclosed