SCHEMBL3356545

SCHEMBL3356545

NC(=O)C1=CNOC=C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4294976 0.80
SCHEMBL3354761 0.70 TP53 (0.33)
SCHEMBL4658870 0.64
SCHEMBL3537101 0.61
Hydrochloric Acid SCHEMBL4701756 0.60
SCHEMBL4598897 0.60
SCHEMBL28570326 0.60
Hydrochloric Acid SCHEMBL12479156 0.60
Hydrochloric Acid SCHEMBL3963500 0.60
SCHEMBL8632628 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367111-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-05-15 EP disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed
CN-112689629-A For inhibiting Nav1.8 pyridazine Compounds 利伯研究所公司 2021-04-20 CN disclosed
WO-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed
CN-109593096-A Tricyclic heterocyclic as BET protein inhibitor 因赛特公司 2019-04-09 CN disclosed
CN-105164131-B Tricyclic heterocycles as BET protein inhibitors 因赛特公司 2018-12-28 CN disclosed
EP-2220078-A2 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE Amgen, Inc (US) 2010-08-25 EP disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
WO-2009058267-A2 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-05-07 WO disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed