SCHEMBL19618594

SCHEMBL19618594

c1ccc2cc(-c3cc(-c4ccc(-c5nc6ccccc6o5)nc4)c4cc(-c5cc6ccccc6c6ccccc56)ccc4n3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ HPGD P15428 7/20 0.43
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ TP53 P04637 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ USP2 O75604 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL19618298 0.93 NPC1 (0.48) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618444 0.92 NPC1 (0.44) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618593 0.90 NPC1 (0.44) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618597 0.88 NPC1 (0.44) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618578 0.85 MEN1 (0.44) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618590 0.84 MEN1 (0.43) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618395 0.83 ALDH1A1 (0.45) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618354 0.83 HDAC6 (0.47) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618389 0.83 HDAC6 (0.47) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL19618480 0.82 ESR1 (0.47) ALDH1A1HPGDNPC1RAB9ATP53

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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