SCHEMBL14560688

SCHEMBL14560688

CC1CCC(c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(C5CCC(C)C(C)C5)nc4c3n2)CC1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ADORA1 P30542 3/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2B P29275 2/20 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
SCHEMBL14560680 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL14560674 0.83 KDM4E (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL14560685 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL13376964 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL14560690 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL14560692 0.80 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL10295457 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL14560689 0.80 KDM4E (0.36) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL5401185 0.79 ADORA1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL14560681 0.78 KDM4E (0.37) ALDH1A1KDM4EHPGDMAPTNPSR1

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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