SCHEMBL242542

SCHEMBL242542

C1=NCc2ccccc21

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
SCHEMBL29517242 1.00
Hydrochloric Acid SCHEMBL31416539 0.97 TRPA1 (0.43)
Hydrochloric Acid SCHEMBL2251205 0.97 TRPA1 (0.43)
SCHEMBL6508302 0.81 PLAU (0.41)
SCHEMBL6369936 0.81 TRPA1 (0.39)
SCHEMBL23246463 0.77 CYP2B6 (0.34)
SCHEMBL11639189 0.77 TRPA1 (0.48)
SCHEMBL11639187 0.77 TRPA1 (0.48)
SCHEMBL56690 0.75 TRPA1 (0.42)
SCHEMBL2771008 0.75 TSHR (0.41)

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 1084 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658655-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP claimed
US-20250353858-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-20 US claimed
WO-2024160278-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO claimed
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US claimed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP claimed
CN-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 CN claimed
CN-110627706-B 2- (4-methylbenzyl) -1H-isoindole-1,3-diketone derivative and synthetic method thereof 郑州手性药物研究院有限公司 2023-02-10 CN claimed
CN-110483439-B Method for synthesizing 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazole-3-one 郑州手性药物研究院有限公司 2022-12-30 CN claimed
CN-110483497-B 6-aminomethyl-1, 1-dioxo-1, 2-benzothiazol-3-one intermediate and synthetic method thereof 郑州手性药物研究院有限公司 2022-12-30 CN claimed
EP-3980126-A1 BENZO[H][1,6] NAPHTHYRIDIN-2(1H)-ONES AS BMX INHIBITORS, FOR USE AGAINST CANCER Instituto de Medicina Molecular João Lobo Antunes (PT) 2022-04-13 EP claimed
US-20060030701-A1 Hydrophilizable and hydrophilic cyanine dyes SILVERBROOK RESEARCH PTY LTD 2006-02-09 US claimed
WO-2005079798-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES BAYER CROPSCIENCE AG (DE) 2005-09-01 WO claimed
US-6872839-B1 Benzofuran-2-one CIBASPECIALTY CHEMICALS CORP. (US) 2005-03-29 US claimed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US claimed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP claimed
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP claimed
EP-0693059-A1 PERHYDROISOINDOLE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE POULENC RORER SA (FR) 1996-01-24 EP claimed
WO-1994022822-A1 PERHYDROISOINDOLE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1994-10-13 WO claimed
EP-0121326-B1 ALKANEDIYL BRIDGED BENZIMIDAZOLO MONOMETHINE CYANINE DYES, PROCESSES FOR THEIR PREPARATION, AND PHOTOGRAPHIC EMULSIONS AND ELEMENTS CONTAINING SUCH DYES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-05-17 EP claimed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP claimed