SCHEMBL11568751

SCHEMBL11568751

N#Cc1ccc(Cl)c(NC(=O)C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.69
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NLRP3 Q96P20 1/20 0.41
VCAM1 P19320 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41

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
SCHEMBL29758005 1.00 GPR35 (0.69) GPR35PDK1PDK2PDK3PDK4
SCHEMBL28923659 0.94 GPR35 (0.61) GPR35PDK1PDK2PDK3PDK4
SCHEMBL23466404 0.83 GPR35 (0.53) GPR35PDK1PDK2PDK3PDK4
SCHEMBL29758069 0.83 GPR35 (0.53) GPR35PDK1PDK2PDK3PDK4
SCHEMBL13170059 0.82 ALDH1A1 (0.54) GPR35PDK1PDK2PDK3PDK4
Lodoxamide SCHEMBL119881 0.81 GPR35 (1.00) GPR35LMNAMAPTTSHRHTT
Lodoxamide SCHEMBL3141058 0.80 GPR35 (0.97) GPR35LMNAMAPTTSHRHTT
SCHEMBL23486868 0.79 PDK1 (0.46) GPR35PDK1PDK2PDK3PDK4
SCHEMBL31703290 0.79 ALDH1A1 (0.55) GPR35PDK1PDK2PDK3PDK4
SCHEMBL28974494 0.79 GPR35 (0.49) GPR35PDK1PDK2PDK3PDK4

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
US-4169153-A PROPHYLAXIS, ANTIHISTAMINES THE UPJOHN COMPANY (US) 1979-09-25 US claimed
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
US-4169153-A PROPHYLAXIS, ANTIHISTAMINES THE UPJOHN COMPANY (US) 1979-09-25 US disclosed
US-4091011-A PROPHYLACTIC ANTIANAPHYLACTICS, ANTIALLERGENS THE UPJOHN COMPANY (US) 1978-05-23 US disclosed