SCHEMBL20527542

SCHEMBL20527542

COc1ccc(C(=O)Cn2cc[n+](-c3ccccc3)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MGAM O43451 1/20 0.46
▸ AMY1A P0DUB6 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42

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
SCHEMBL21821196 0.85 KDM4E (0.44) NPC1RAB9AMGAMAMY1AGAA
Bromide SCHEMBL3844623 0.80 KMT2A (0.47) NPC1RAB9AMGAMAMY1AGAA
SCHEMBL20527633 0.77 CA1 (0.46) NPC1RAB9AMGAMAMY1AGAA
SCHEMBL10871532 0.72 NPC1 (0.59) NPC1RAB9AMGAMAMY1AGAA
Hydrochloric Acid SCHEMBL3849007 0.71 KMT2A (0.48) NPC1RAB9AMGAMAMY1AGAA
SCHEMBL15030415 0.70 ALDH1A1 (0.56) NPC1RAB9AMGAMAMY1AGAA
SCHEMBL6247518 0.70 NPC1 (0.59) NPC1RAB9AMGAMAMY1AGAA
Hydrochloric Acid SCHEMBL3854371 0.69 KMT2A (0.52) NPC1RAB9AMGAMAMY1AGAA
SCHEMBL4874455 0.69 ALDH1A1 (0.76) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL20527543 0.68 KMT2A (0.58) NPC1RAB9AGAAKMT2AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377535-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2022-07-05 — — US claimed
US-20200207940-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2020-07-02 — — US claimed
US-10611892-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2020-04-07 — — US claimed
US-20180291174-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2018-10-11 — — US claimed
US-11377535-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2022-07-05 — — US disclosed
US-20200207940-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2020-07-02 — — US disclosed
US-10611892-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2020-04-07 — — US disclosed
US-20180291174-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2018-10-11 — — US disclosed
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