SCHEMBL899731

SCHEMBL899731

OC(c1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.77
IDO1 P14902 1/20 0.68
ALDH1A1 P00352 3/20 0.58
POLB P06746 1/20 0.58
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
ALOX12 P18054 1/20 0.53
ALPL P05186 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 2/20 0.51
TAAR1 Q96RJ0 1/20 0.47
PDE10A Q9Y233 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30601597 1.00 MLKL (0.77) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL7946544 0.89 IDO1 (0.78) MLKLIDO1ALDH1A1POLBGAA
Benzimidazole SCHEMBL10716118 0.88 MLKL (0.62) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL11849336 0.85 MLKL (0.58) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL2720739 0.83 MLKL (0.59) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL14770661 0.83 MLKL (0.72) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL8316457 0.82 MLKL (0.55) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL1349930 0.81 ALDH1A1 (0.61) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL18269212 0.81 MLKL (0.57) MLKLIDO1ALDH1A1POLBGAA
SCHEMBL18259723 0.81 MLKL (0.69) MLKLIDO1ALDH1A1GAAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084935-A Imidazolidinone compound as well as preparation method and application thereof 贝达药业股份有限公司 2024-05-28 CN claimed
EP-0599881-B1 GALLIUM (III) COMPLEXES, PROCESS FOR THEIR OBTENTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM COLLERY PHILIPPE (FR) 1998-05-13 EP claimed
US-3970535-A Photopolymerization process utilizing a 2-methyl-substituted benzimidazole as a photosensitizer SCM CORPORATION (US) 1976-07-20 US claimed
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 CN disclosed
EP-4626870-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS University of Copenhagen (DK) 2025-10-08 EP disclosed
WO-2025124698-A1 ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-19 WO disclosed
CN-119855820-A Camptothecins compound and its preparation method and use 上海齐鲁制药研究中心有限公司 2025-04-18 CN disclosed
CN-119684998-A Sandwich structure pressure color-changing film based on double-tricyclic aromatic alkene and preparation method and application thereof 中山大学 2025-03-25 CN disclosed
CN-118994190-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-118994191-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
US-4564622-A Triazole derivative as an antiviral agent BAYER AKTIENGESELLSCHAFT (DE) 1986-01-14 US disclosed
US-4557934-A ALONG WITH A DIOL PYRROLIDONE OR AN AZACYCLOPENTAN-2-ONE THE PROCTER & GAMBLE COMPANY (US) 1985-12-10 US disclosed
US-4537776-A PERCUTANEOUS DELIVERY OF ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1985-08-27 US disclosed
EP-0129285-A2 Penetrating topical pharmaceutical compositions containing N-(2-hydroxyethyl)pyrrolidone THE PROCTER & GAMBLE COMPANY (US) 1984-12-27 EP disclosed
EP-0129284-A2 Improved penetrating topical pharmaceutical compositions containing 1-dodecyl-azacycloheptan-2-one THE PROCTER & GAMBLE COMPANY (US) 1984-12-27 EP disclosed
EP-0128006-A2 A soil-disease-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP disclosed
US-4119478-A COLORLESS COMPOUND CONTAINING ONE OR MORE BASIC NITROGEN ATOMS ATTACHED TO CARBON IN PYRIDINE OR BENZIMIDAZOLE RING AND HAVING ONE OR MORE UREA OR URETHANE GROUPS CIBA-GEIGY CORPORATION (US) 1978-10-10 US disclosed
US-3970535-A Photopolymerization process utilizing a 2-methyl-substituted benzimidazole as a photosensitizer SCM CORPORATION (US) 1976-07-20 US disclosed
US-3941788-A Benzimidazole derivatives RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1976-03-02 US disclosed