SCHEMBL9968082

SCHEMBL9968082

CC(C)c1ccc2c3ccccc3n(C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
PRNP P04156 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39

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
SCHEMBL17109976 0.77 GPR3 (0.54) GPR3SMN1; SMN2MAPTNPSR1GAA
SCHEMBL679189 0.76 GPR3 (0.52) GPR3SMN1; SMN2MAPTNPSR1CASP1
SCHEMBL23373435 0.75 GPR3 (0.50) GPR3SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL9968090 0.74 GPR3 (0.46) GPR3SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL12759587 0.73 MAPT (0.37) GPR3SMN1; SMN2MAPTNPSR1TSHR
SCHEMBL24299497 0.70 RXRA (0.50) GPR3SMN1; SMN2MAPTNPSR1TSHR
SCHEMBL280139 0.69 GPR3 (0.58) GPR3SMN1; SMN2MAPTNPSR1GAA
SCHEMBL679421 0.69 L3MBTL1 (0.49) GPR3SMN1; SMN2ATMTDP1KDM4E
SCHEMBL29321 0.69 GPR3 (1.00) GPR3MAPTNPSR1ATMKDM4E
SCHEMBL29461528 0.69 GPR3 (1.00) GPR3MAPTNPSR1ATMKDM4E

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
EP-2475020-A1 ORGANIC ELECTROLUMINESCENT ELEMENT FUJIFILM Corporation (JP) 2012-07-11 EP disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed