SCHEMBL6347377

SCHEMBL6347377

CCCCCc1cnc(-c2ccccn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL11650441 0.84 RAB9A (0.56) TDP1L3MBTL1CYP1A2CYP2D6CYP19A1
SCHEMBL28204855 0.83 RAB9A (0.58) TDP1L3MBTL1CYP1A2CYP2D6CYP19A1
SCHEMBL3628279 0.80 TP53 (0.49) TDP1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8814320 0.79 CYP1A2 (0.64) L3MBTL1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9560137 0.78 RARB (0.68) RARBTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL27886215 0.78 CYP1A2 (0.50) TDP1L3MBTL1CYP1A2CYP2D6CYP19A1
SCHEMBL19496902 0.77 CYP1A2 (0.62) L3MBTL1CYP1A2CYP2D6CYP19A1CYP2C9
Ammonia Solution, Strong SCHEMBL28175142 0.77 CYP1A2 (0.62) L3MBTL1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL29002823 0.77 CYP1A2 (0.62) L3MBTL1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL3393437 0.77 CYP1A2 (0.62) L3MBTL1CYP1A2CYP2D6CYP19A1CYP2C9

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-6929873-B2 Electroluminescent device using metal coordination compound CANON KABUSHIKI KAISHA (JP) 2005-08-16 US disclosed
US-20040013905-A1 Electroluminescent device using metal coordination compound CANON KABUSHIKI KAISHA (JP) 2004-01-22 US disclosed