SCHEMBL6003356

SCHEMBL6003356

Nc1nc(-c2nsc(N)n2)ns1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
CYP19A1 P11511 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL9852110 0.83 ADORA2A (0.55) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL11273216 0.76 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1RAB9A
SCHEMBL69810 0.75 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL3252621 0.74 ADORA3 (0.68) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL9852187 0.72 ADORA3 (0.55) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL9108544 0.72 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL11332250 0.72 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL9852272 0.72 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL10391988 0.71 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL18377841 0.71 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7092608-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-15 US disclosed
US-7082244-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-25 US disclosed
US-20060159413-A1 POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-20 US disclosed
US-20040197064-A1 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2004-10-07 US disclosed