SCHEMBL19618348

SCHEMBL19618348

c1ccc(-c2ccc3nc(-c4ccccc4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 5/20 0.50
NT5E P21589 1/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.48
GLA P06280 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NTSR1 P30989 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
ACACA Q13085 2/20 0.44
ELANE P08246 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL19618418 1.00 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618401 0.97 NT5E (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618356 0.95 NT5E (0.49) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618366 0.95 NT5E (0.49) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618391 0.94 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618339 0.94 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618396 0.94 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618425 0.94 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618400 0.92 ESR1 (0.50) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19618332 0.92 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTHPGD

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