SCHEMBL30689371

SCHEMBL30689371

N#Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAOB P27338 1/20 0.59
FFAR1 O14842 1/20 0.58
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
PARP10 Q53GL7 1/20 0.56
CYP19A1 P11511 11/20 0.55
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 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
SCHEMBL1680670 1.00 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2MAOBFFAR1
SCHEMBL3626120 0.86 MAOB (0.54) KDM4EALDH1A1SMN1; SMN2MAOBFFAR1
SCHEMBL2990174 0.86 CYP19A1 (0.52) KDM4EALDH1A1SMN1; SMN2MAOBFFAR1
SCHEMBL2246114 0.85 FFAR1 (0.49) KDM4EALDH1A1SMN1; SMN2MAOBFFAR1
SCHEMBL13248358 0.84 ALOX5AP (0.53) KDM4EALDH1A1SMN1; SMN2MAOBFFAR1
SCHEMBL27796956 0.83 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2MAOBCYP11B1
SCHEMBL28418292 0.82 MAOB (0.50) KDM4EALDH1A1SMN1; SMN2MAOBFFAR1
SCHEMBL6445371 0.81 KCNH2 (0.67) KDM4EALDH1A1SMN1; SMN2MAOBFFAR1
Water SCHEMBL9719872 0.81 PARP10 (0.62) KDM4EALDH1A1SMN1; SMN2MAOBPARP10
SCHEMBL22874534 0.80 PARP10 (0.66) KDM4EALDH1A1SMN1; SMN2MAOBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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