SCHEMBL7741267

SCHEMBL7741267

N=C1C=Cc2cccc3ccc(N)c1c23

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 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
SCHEMBL10978229 0.79 ALDH1A1 (0.34) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL7742191 0.79 CES1 (0.39) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL7742198 0.75 ALDH1A1 (0.31) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL5379749 0.73 ALDH1A1 (0.40) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL7037670 0.72 ALDH1A1 (0.39) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL10338598 0.71 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL29575794 0.68 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL26037 0.68 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL8872842 0.68 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL8370836 0.68 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD

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
US-6428912-B1 ALUMINUM TRIS(9-OXIDOPHENALENONE) OR TRIS(6-OXIDOBENZANTHRONE) DERIVATIVE CHELATE COMPOUNDS; ELECTROLUMINESCENT AGERE SYSTEMS GUARDIAN CORP. 2002-08-06 US disclosed