SCHEMBL9203542

SCHEMBL9203542

CCOC(=O)C1=C(CNC(=N)S)NC(C)=C(C(=O)OC)C1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 5/20 0.38
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2C9 P11712 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
USP2 O75604 1/20 0.35
HIF1A Q16665 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
Hydrochloric Acid SCHEMBL9215675 0.99 TSHR (0.39) TSHRNPSR1LMNATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL9216303 0.99 TSHR (0.39) TSHRNPSR1LMNATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL9212229 0.98 TSHR (0.39) TSHRNPSR1LMNATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL9205111 0.96 LMNA (0.39) TSHRNPSR1LMNATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL9203774 0.94 LMNA (0.40) TSHRNPSR1LMNATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL9212494 0.84 NPSR1 (0.53) TSHRNPSR1TP53CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL9208625 0.84 NPSR1 (0.53) TSHRNPSR1TP53CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL9214108 0.83 NPSR1 (0.51) TSHRNPSR1CYP2C9CYP1A2CYP3A4
SCHEMBL9168592 0.82 TSHR (0.43) TSHRNPSR1LMNATP53SMN1; SMN2
SCHEMBL9168598 0.82 TSHR (0.43) TSHRNPSR1LMNATP53SMN1; SMN2

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
EP-0536169-B1 [3H,7H]THIAZOLO [3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA (IT) 1995-04-05 EP disclosed
EP-0536169-A1 3H,7H]THIAZOLO 3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT. BOEHRINGER MANNHEIM ITALIA (IT) 1993-04-14 EP disclosed
WO-1991018906-A1 [3H,7H]THIAZOLO[3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-12-12 WO disclosed