SCHEMBL19618403

SCHEMBL19618403

c1ccc(-c2cccc(-c3ccc4nc(-c5cccc(-c6ccccc6)c5)cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)c4c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
ACACA Q13085 3/20 0.49
ELANE P08246 2/20 0.48
PIK3CA P42336 1/20 0.47
HPGD P15428 4/20 0.46
HSP90AA1 P07900 3/20 0.46
THRB P10828 3/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL19618402 1.00 ALDH1A1 (0.51) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618357 0.97 ALDH1A1 (0.48) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618472 0.97 ALDH1A1 (0.48) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618377 0.97 ALDH1A1 (0.48) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618475 0.97 ALDH1A1 (0.48) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618419 0.95 ALDH1A1 (0.49) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618382 0.95 ALDH1A1 (0.49) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618344 0.95 ALDH1A1 (0.55) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618420 0.95 ALDH1A1 (0.55) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL19618369 0.95 ALDH1A1 (0.55) ALDH1A1LMNANPSR1KDM4EMAPT

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