SCHEMBL9968072

SCHEMBL9968072

CC(C)Cc1ncc2c3ccccc3n(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.46
DRD5 P21918 6/20 0.46
PRNP P04156 1/20 0.43
GPR3 P46089 1/20 0.42
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
GAA P10253 3/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CASP1 P29466 1/20 0.38
GALK1 P51570 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
SCHEMBL9968113 0.80 GABRP (0.48) DRD1DRD5PRNPGPR3LMNA
SCHEMBL9968090 0.78 GPR3 (0.46) DRD1DRD5PRNPGPR3LMNA
SCHEMBL21311373 0.74 GPR3 (0.48) GPR3LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL30941866 0.72 SMN1; SMN2 (0.47) GPR3LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL9968081 0.72 GPR3 (0.46) GPR3LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL9968082 0.68 GPR3 (0.48) DRD1DRD5PRNPGPR3LMNA
SCHEMBL1609982 0.67 GPR3 (0.52) GPR3LMNAL3MBTL1SMN1; SMN2
SCHEMBL24005831 0.65 PCSK9 (0.41) GPR3LMNAMAPTALDH1A1KMT2A
SCHEMBL17109976 0.65 GPR3 (0.54) GPR3L3MBTL1SMN1; SMN2MAPTNPSR1
SCHEMBL9968163 0.65 GPR3 (0.53) GPR3LMNAL3MBTL1MAPTALDH1A1

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
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