SCHEMBL29564693

SCHEMBL29564693

COC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.62
WDR5 P61964 1/20 0.60
ITGB1 P05556 1/20 0.56
ITGA5 P08648 1/20 0.56
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
THRB P10828 1/20 0.52
LMNA P02545 1/20 0.51
MITF O75030 1/20 0.51
KMT2A Q03164 2/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
MEN1 O00255 1/20 0.50
HIF1A Q16665 1/20 0.50
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL31493 1.00 VCAM1 (0.62) VCAM1WDR5ITGB1ITGA5ALDH1A1
SCHEMBL31274559 0.92 VCAM1 (0.54) VCAM1WDR5ITGB1ITGA5ALDH1A1
SCHEMBL2948960 0.88 ERN1 (0.60) VCAM1WDR5ITGB1ITGA5ALDH1A1
SCHEMBL29891438 0.88 ERN1 (0.60) VCAM1WDR5ITGB1ITGA5ALDH1A1
SCHEMBL5934 0.87 VCAM1 (0.58) VCAM1WDR5ALDH1A1HPGDNPSR1
SCHEMBL29556186 0.87 VCAM1 (0.58) VCAM1WDR5ALDH1A1HPGDNPSR1
SCHEMBL28566263 0.86 WDR5 (0.60) WDR5ALDH1A1HPGDLMNAKMT2A
SCHEMBL27715574 0.86 VCAM1 (0.54) VCAM1WDR5ITGB1ITGA5ALDH1A1
SCHEMBL28554330 0.85 MEN1 (0.69) WDR5ALDH1A1LMNAKMT2AABL1
SCHEMBL5734347 0.85 VCAM1 (0.68) VCAM1ALDH1A1HPGDNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087635-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
WO-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 WO disclosed
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 WO disclosed
EP-4476208-A1 GLP-1R MODULATING COMPOUNDS Ascletis Bioscience Co., Ltd. (CN) 2024-12-18 EP disclosed
WO-2024246764-A1 NOVEL BENZAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-12-05 WO disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
EP-4398942-A1 LINKERS FOR USE IN ANTIBODY DRUG CONJUGATES Orum Therapeutics Inc. (KR) 2024-07-17 EP disclosed
WO-2024137619-A1 ANTI-CLAUDIN, BIS-BENZIMID AZOLE STING AGONIST IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
EP-4359007-A1 BIS-BENZIMIDAZOLE STING AGONIST IMMUNOCONJUGATES, AND USES THEREOF Bolt Biotherapeutics, Inc. (US) 2024-05-01 EP disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2023164358-A1 GLP-1R MODULATING COMPOUNDS ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-08-31 WO disclosed
EP-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 EP disclosed
EP-4225739-A1 PREPARATION OF BENZIMIDAZOLONE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2023-08-16 EP disclosed
WO-2023037268-A1 LINKERS FOR USE IN ANTIBODY DRUG CONJUGATES ORUM THERAPEUTICS, INC. (KR) 2023-03-16 WO disclosed
WO-2022272039-A1 BIS-BENZIMIDAZOLE STING AGONIST IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
EP-4093385-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Myoforte Therapeutics Inc. (US) 2022-11-30 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed
WO-2022076495-A1 PREPARATION OF BENZIMIDAZOLONE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-04-14 WO disclosed