SCHEMBL10295457

SCHEMBL10295457

c1ccc(-c2cc(C3CCCC3)nc3c2ccc2c(-c4ccccc4)cc(C4CCCC4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ADORA1 P30542 5/20 0.46
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ ADORA2A P29274 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 3/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL5401185 0.98 ADORA1 (0.47) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL28716830 0.89 ADORA1 (0.41) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL29559312 0.89 ADORA1 (0.41) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL14560680 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL24162456 0.85 ADORA3 (0.38) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL14560685 0.84 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL20855330 0.83 TDP1 (0.54) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL14560679 0.81 ADORA1 (0.36) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL13376977 0.81 DHODH (0.55) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL14560724 0.81 PTGS2 (0.44) ALDH1A1HPGDMEN1KMT2ANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097980-B1 Bathophenanthroline compound and process for preparing same SONY CORP (JP) 2012-07-04 — — EP disclosed
EP-1097981-B1 Organic electroluminescent device SONY CORP (JP) 2010-04-14 — — EP disclosed
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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