SCHEMBL6001878

SCHEMBL6001878

[CH2]Oc1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.51
PTGS2 P35354 6/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ADRA2A P08913 1/20 0.50
FBP1 P09467 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
DRD2 P14416 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
MC5R P33032 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL6736271 0.84 CYP1A2 (0.60) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL13283703 0.81 PTGS1 (0.50) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL20733630 0.81 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL347497 0.81 SMN1; SMN2 (0.54) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL10670562 0.79 SMN1; SMN2 (0.53) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL729697 0.79 PTGS1 (0.51) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL10670085 0.79 SMN1; SMN2 (0.53) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL11471037 0.79 CYP1A2 (0.73) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL8667042 0.78 CYP1A2 (0.50) PTGS1PTGS2CYP1A2CYP2D6CYP3A4
SCHEMBL357361 0.78 SMN1; SMN2 (0.71) PTGS1PTGS2CYP1A2CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 WO claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
JP-1272565-A None JP disclosed
WO-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 WO disclosed
CN-1279818-C Herbicidal synergistic composition, and method of controlling weeds SYNGENTA CROP PROT INC (CH) 2006-10-18 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
CN-1541532-A Herbicidal synergistic composition, and method of controlling weeds �����ɷ� 2004-11-03 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0768034-A1 Synergistic herbicidal composition and method for weed control Novartis AG (CH) 1997-04-16 EP disclosed
JP-H01272565-A N-BENZENESULFONYLAMIDINE DERIVATIVE AND PESTICIDE FOR RICE BLAST CONTAINING THE SAME DERIVATIVE AS ACTIVE COMPONENT SHIONOGI & CO LTD 1989-10-31 JP disclosed