SCHEMBL14560728

SCHEMBL14560728

Cc1cccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc(C)c5C5CCCCC5)nc4c3n2)c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ MAT2A P31153 2/20 0.38
▸ CASP3 P42574 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP6 Q9GZR1 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14560730 0.85 ADORA1 (0.39) ADORA1ADORA3ADORA2BADORA2AS1PR1
SCHEMBL14560742 0.85 ADORA1 (0.43) ADORA1ADORA3ADORA2BADORA2AS1PR1
SCHEMBL14560734 0.83 PDK2 (0.41) ADORA1ADORA3ADORA2BADORA2AS1PR1
SCHEMBL31597244 0.83 CXCR5 (0.42) ADORA1ADORA3ADORA2BADORA2AS1PR1
SCHEMBL14560725 0.82 PDK2 (0.41) ADORA1ADORA3ADORA2BADORA2AS1PR1
SCHEMBL14560724 0.81 PTGS2 (0.44) ADORA1ADORA3ADORA2BADORA2ACASP3
SCHEMBL14560726 0.81 CASP3 (0.40) ADORA1ADORA3ADORA2BADORA2ACASP3
SCHEMBL14560741 0.81 ADORA1 (0.39) ADORA1ADORA3ADORA2BADORA2AS1PR1
SCHEMBL10295460 0.81 S1PR1 (0.40) ADORA1ADORA3ADORA2BADORA2AS1PR1
SCHEMBL14560733 0.81 S1PR1 (0.43) ADORA1ADORA3ADORA2BADORA2AS1PR1

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-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 — — US disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 — — US disclosed
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