SCHEMBL31123403

SCHEMBL31123403

c1ccc(Nc2cc3oc4ccc5ccccc5c4c3c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CDC25B P30305 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ GLA P06280 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AHR P35869 3/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ PAX8 Q06710 2/20 0.42

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
SCHEMBL31123336 0.92 ABCG2 (0.45) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL21819786 0.92 ABCG2 (0.45) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL24155585 0.85 DUSP3 (0.49) HPGDHSD17B10TP53ALDH1A1TSHR
SCHEMBL23633637 0.83 ALDH1A1 (0.59) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL23633538 0.83 KDM4E (0.48) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL31123338 0.81 HPGD (0.47) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL17382505 0.81 HPGD (0.47) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL17740591 0.77 ALDH1A1 (0.51) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL415466 0.76 TDP1 (0.55) HPGDHSD17B10TP53ALDH1A1CYP3A4
SCHEMBL30091394 0.76 TDP1 (0.55) HPGDHSD17B10TP53ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110957429-B Amine-based compound and organic light emitting device including the same 三星显示有限公司 2024-08-20 — — CN disclosed
Send feedback