SCHEMBL19618340

SCHEMBL19618340

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)nc5ccc(-c6ccccc6)cc45)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
ACACA Q13085 3/20 0.53
ELANE P08246 1/20 0.51
PIK3CA P42336 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
HPGD P15428 4/20 0.49
HSP90AA1 P07900 1/20 0.49
DHODH Q02127 2/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL19618344 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19618420 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19618369 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19618403 0.95 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19618402 0.95 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19953850 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL13774335 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19618419 0.93 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL19618382 0.93 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL14666153 0.93 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTLMNANPSR1

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