SCHEMBL30345719

SCHEMBL30345719

CN(C)c1ccnc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
TERT O14746 1/20 0.40
APP P05067 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL504133 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ECHRM5CHKATERT
SCHEMBL1873126 0.79 ADRA2A (0.37) ALDH1A1KDM4ECHRM5CHKAGRIN1
SCHEMBL2170597 0.77 SLC6A2 (0.37) ALDH1A1KDM4ETSHREGFRCYP1A2
SCHEMBL196641 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ECHRM5CHKATERT
SCHEMBL31162481 0.75 MAPT (0.40) ALDH1A1KDM4EAPPTSHRMAPT
SCHEMBL31162515 0.75 POLB (0.41) ALDH1A1KDM4EAPPHSD17B10EGFR
SCHEMBL1857798 0.74 UHRF1 (0.52) ALDH1A1KDM4ECHRM5CHKATERT
SCHEMBL30002302 0.74 UHRF1 (0.52) ALDH1A1KDM4ECHRM5CHKATERT
SCHEMBL18221640 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ECHRM5CHKATERT
SCHEMBL27164083 0.74 LOX (0.48) ALDH1A1KDM4ECHRM5CHKATERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058708-A Alkynyl alcohol derivative and medical application thereof 中国药科大学 2025-05-30 CN disclosed
CN-119978004-A Water-stable 2-pyridine inner salt boron reagent, preparation method thereof and application thereof in coupling reaction 苏州大学 2025-05-13 CN disclosed
CN-119968366-A Oxadiazole derivatives, methods of preparation and use thereof in the treatment of inflammatory diseases 西特瑞治疗有限公司 2025-05-09 CN disclosed
EP-4543875-A1 OXADIAZOLE DERIVATIVES, PREPARATION PROCESS THEREOF AND THEIR USE IN TREATING INFLAMMATORY DISEASES Sitryx Therapeutics Limited (GB) 2025-04-30 EP disclosed
WO-2023247958-A1 OXADIAZOLE DERIVATIVES, PREPARATION PROCESS THEREOF AND THEIR USE IN TREATING INFLAMMATORY DISEASES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-28 WO disclosed
CN-111542315-B Benzosulfonyl compounds 维瓦斯治疗公司 2023-05-12 CN disclosed
CN-113712964-B Application of 9,10 dihydrophenanthrene compound in preparation of coronavirus 3CL protease inhibitor 上海中医药大学 2023-04-07 CN disclosed