SCHEMBL14560725

SCHEMBL14560725

Cc1cccc(C2CCCCC2)c1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4c(C)cccc4C4CCCCC4)nc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ ADORA1 P30542 3/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ PTGS2 P35354 1/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP6 Q9GZR1 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ PTPN5 P54829 3/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PSMB5 P28074 1/20 0.34
▸ HPGD P15428 2/20 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
SCHEMBL14560738 0.89 ADORA1 (0.38) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL14560729 0.87 PSMB5 (0.41) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL14560734 0.84 PDK2 (0.41) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL14560730 0.84 ADORA1 (0.39) ADORA1ADORA3ADORA2BADORA2ACASP3
SCHEMBL14560740 0.83 ADORA1 (0.40) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL14560724 0.82 PTGS2 (0.44) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL14560741 0.82 ADORA1 (0.39) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL14560728 0.82 ADORA1 (0.39) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL14560726 0.82 CASP3 (0.40) PDK2PDK4ADORA1ADORA3ADORA2B
SCHEMBL5397208 0.82 KDM4E (0.43) ADORA1ADORA3ADORA2APOLBPSMB5

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
Send feedback