SCHEMBL4628084

SCHEMBL4628084

C=C(C)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ AHR P35869 1/20 0.58
▸ GPR84 Q9NQS5 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PKM P14618 2/20 0.56
▸ LMNA P02545 2/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ FNTA P49354 1/20 0.55
▸ FNTB P49356 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54

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
SCHEMBL9531242 0.85 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12691322 0.84 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28447148 0.83 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4628920 0.83 PKM (0.57) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL468399 0.82 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL29629485 0.82 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20619402 0.80 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10088137 0.79 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13333434 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1854707 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186826-A1 5-MEO-DMT FOR USE IN THE TREATMENT OF POSTPARTUM DEPRESSION GH Research Ireland Limited (IE) 2023-10-05 — — WO disclosed
WO-2022150167-A2 NOVEL MACROCYCLIC OPIOID PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-14 — — WO disclosed
WO-2020167831-A1 METHOD OF PREPARING A DON PRODRUG FROM L-GLUTAMIC ACID DRACEN PHARMACEUTICALS, INC. (US) 2020-08-20 — — WO disclosed
US-7390909-B2 Processes of producing glutamic acid compounds and production intermediates therefore and novel intermediate for the processes AJINOMOTO CO., INC. (JP) 2008-06-24 — — US disclosed
EP-1529776-B1 Amino acid derivatives and sweetening agent AJINOMOTO KK (JP) 2008-03-05 — — EP disclosed
US-7244462-B2 Amino acid derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2007-07-17 — — US disclosed
US-20050118317-A1 Novel amino acid derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2005-06-02 — — US disclosed
EP-1529776-A2 Amino acid derivatives and sweetening agent Ajinomoto Co., Inc. (JP) 2005-05-11 — — EP disclosed
EP-0783489-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-16 — — EP disclosed
WO-1996010014-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-04 — — WO disclosed
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