SCHEMBL9548077

SCHEMBL9548077

COc1ccc(-c2nc(NC(=N)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.67
MAPT P10636 7/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
LMNA P02545 4/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ACHE P22303 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
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
SCHEMBL9547995 0.87 PTGS2 (0.67) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL9548102 0.78 MAPT (0.69) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL9694105 0.78 KMT2A (0.49) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL9548090 0.77 MAPT (0.68) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL9548091 0.77 ALDH1A1 (0.77) PTGS2MAPTALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9547998 0.75 MAPT (0.68) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL9548136 0.74 KMT2A (0.74) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL11568108 0.74 PTGS2 (0.69) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL9451892 0.74 PTGS2 (0.63) PTGS2MAPTALDH1A1KDM4ELMNA
SCHEMBL9548024 0.74 MAPT (0.63) PTGS2MAPTALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217971-A Anticoagulants, hypotensive agents, antiallergens and antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US disclosed
EP-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP disclosed