SCHEMBL19618401

SCHEMBL19618401

c1ccc(-c2cccc(-c3ccc4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.48
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 5/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GLA P06280 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ACACA Q13085 2/20 0.46
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
THRB P10828 3/20 0.43
HSP90AA1 P07900 2/20 0.43
NTSR1 P30989 1/20 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
SCHEMBL19618348 0.97 ALDH1A1 (0.50) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618418 0.97 ALDH1A1 (0.50) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618400 0.95 ESR1 (0.50) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618391 0.94 ALDH1A1 (0.51) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618425 0.94 ALDH1A1 (0.51) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618396 0.94 ALDH1A1 (0.51) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618339 0.94 ALDH1A1 (0.51) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618356 0.92 NT5E (0.49) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618366 0.92 NT5E (0.49) NT5EALDH1A1MEN1KMT2AHPGD
SCHEMBL19618300 0.92 CYP1A1 (0.46) NT5EALDH1A1MEN1KMT2AHPGD

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-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed