SCHEMBL14560741

SCHEMBL14560741

Cc1cc(C2CCCCC2)c(C)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(C)c(C5CCCCC5)cc4C)nc3c2n1

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
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ SENP7 Q9BQF6 2/20 0.34
▸ SENP6 Q9GZR1 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CAMKK2 Q96RR4 2/20 0.33
▸ S1PR1 P21453 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
SCHEMBL14560724 0.83 PTGS2 (0.44) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL10295460 0.83 S1PR1 (0.40) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560733 0.83 S1PR1 (0.43) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560727 0.83 MAPT (0.40) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560734 0.83 PDK2 (0.41) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560726 0.83 CASP3 (0.40) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560725 0.82 PDK2 (0.41) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560738 0.81 ADORA1 (0.38) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560729 0.81 PSMB5 (0.41) ADORA1ADORA3ADORA2BADORA2APDK2
SCHEMBL14560728 0.81 ADORA1 (0.39) ADORA1ADORA3ADORA2BADORA2APDK2

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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