SCHEMBL3853512

SCHEMBL3853512

C[U](C)(C)(C)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 11/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP4Z1 Q86W10 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ DGAT1 O75907 1/20 0.46
▸ GRM2 Q14416 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 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
SCHEMBL19617512 0.93 SLC9A1 (0.48) SLC9A1KEAP1ALDH1A1CYP4Z1POLB
SCHEMBL628179 0.93 SLC9A1 (0.48) SLC9A1KEAP1ALDH1A1CYP4Z1POLB
SCHEMBL8933157 0.87 SLC9A1 (0.43) SLC9A1KEAP1ALDH1A1CYP4Z1POLB
SCHEMBL15878936 0.73 ALDH1A1 (0.56) ALDH1A1MAPK1CYP1A2CYP3A4MAPT
SCHEMBL170155 0.71 SLC9A1 (1.00) SLC9A1KEAP1ALDH1A1CYP4Z1POLB
SCHEMBL29720118 0.71 SLC9A1 (1.00) SLC9A1KEAP1ALDH1A1CYP4Z1POLB
SCHEMBL326359 0.71 TUBB4A (0.39) SLC9A1KEAP1ALDH1A1POLBRAB9A
SCHEMBL3072391 0.70 SLC9A1 (0.60) SLC9A1KEAP1ALDH1A1CYP4Z1POLB
Ammonia Solution, Strong SCHEMBL4635177 0.70 SLC9A1 (0.95) SLC9A1KEAP1ALDH1A1CYP4Z1POLB
SCHEMBL2925766 0.70 SLC9A1 (0.95) SLC9A1KEAP1ALDH1A1CYP4Z1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160985-B1 PROCESS FOR THE PRODUCTION OF D-ARGINYL-2,6-DIMETHYL-L-TYROSYL-L-LYSYL-L-PHENYLALANINAMIDE FLAMMA SPA (IT) 2021-07-28 — — EP claimed
EP-3177635-B1 PROCESSES FOR THE PREPARATION OF OXYTOCIN ANALOGUES HOFFMANN LA ROCHE (CH) 2018-10-03 — — EP claimed
CN-113518784-A Therapeutic peptides 科巴公司 2021-10-19 — — CN disclosed
CN-110997693-A Tau aggregation inhibitors 阿德克斯公司 2020-04-10 — — CN disclosed
US-10471020-B2 Nanoparticles with protected interiors, and methods of use thereof UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2019-11-12 — — US disclosed
US-20180078510-A1 NANOPARTICLES WITH PROTECTED INTERIORS, AND METHODS OF USE THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2018-03-22 — — US disclosed
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 — — EP disclosed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 — — EP disclosed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 — — WO disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 — — US disclosed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 — — WO disclosed
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