SCHEMBL20698539

SCHEMBL20698539

c1cc(-c2ccc3c(c2)-c2ccc(-c4cccc(-c5nc6ccccc6o5)n4)c4cccc-3c24)nc(-c2nc3ccccc3o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ HPGD P15428 8/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ MAPT P10636 5/20 0.42
▸ USP2 O75604 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 9/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ HSD17B10 Q99714 7/20 0.42
▸ TP53 P04637 6/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL17692163 0.92 TP53 (0.46) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL22617972 0.82 TP53 (0.49) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL19768211 0.81 NPC1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL17692149 0.80 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL17231512 0.79 NPC1 (0.50) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL17231529 0.79 NPC1 (0.50) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL17692166 0.79 TP53 (0.53) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL19768430 0.78 NPC1 (0.42) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL25648709 0.77 NPC1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL25649790 0.77 NPC1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2

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-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 — — US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 — — US disclosed
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