SCHEMBL19618471

SCHEMBL19618471

c1ccc(-c2cccc(-c3ccc4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6nc7ccccc7o6)c5)c4c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.51
▸ HPGD P15428 9/20 0.51
▸ KDM4E B2RXH2 9/20 0.51
▸ NPC1 O15118 8/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ HSD17B10 Q99714 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ HCRTR1 O43613 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ TP53 P04637 5/20 0.50
▸ NFKB1 P19838 2/20 0.46
▸ STAT1 P42224 2/20 0.46

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
SCHEMBL19618375 0.97 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618319 0.97 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618470 0.95 NPC1 (0.49) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618320 0.93 NPC1 (0.47) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618330 0.90 NPC1 (0.51) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618350 0.90 NPC1 (0.51) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618395 0.88 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618597 0.87 NPC1 (0.44) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618446 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2
SCHEMBL19618509 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ENPC1SMN1; SMN2

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
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