SCHEMBL14560724

SCHEMBL14560724

c1ccc(-c2cc(-c3ccccc3C3CCCCC3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4C4CCCCC4)nc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.44
▸ ADORA1 P30542 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ PTPN5 P54829 2/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL14560734 0.89 PDK2 (0.41) PTGS2ADORA1ADORA3ADORA2BADORA2A
SCHEMBL14560727 0.86 MAPT (0.40) PTGS2ADORA1ADORA3ADORA2BADORA2A
SCHEMBL14560726 0.86 CASP3 (0.40) PTGS2ADORA1ADORA3ADORA2BADORA2A
SCHEMBL14560741 0.83 ADORA1 (0.39) PTGS2ADORA1ADORA3ADORA2BADORA2A
SCHEMBL5401185 0.82 ADORA1 (0.47) ADORA1ADORA3ADORA2BADORA2ATDP1
SCHEMBL14560725 0.82 PDK2 (0.41) PTGS2ADORA1ADORA3ADORA2BADORA2A
SCHEMBL10295457 0.81 ALDH1A1 (0.47) ADORA1ADORA3ADORA2BADORA2ATDP1
SCHEMBL14560728 0.81 ADORA1 (0.39) ADORA1ADORA3ADORA2BADORA2ATDP1
SCHEMBL13376977 0.81 DHODH (0.55) ADORA1ADORA3ADORA2BADORA2ATDP1
SCHEMBL10295465 0.80 CTSS (0.46) ADORA1ADORA3ADORA2BADORA2ATDP1

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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