SCHEMBL9203548

SCHEMBL9203548

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.40
TSHR P16473 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TBXA2R P21731 3/20 0.37
ADRA1A P35348 3/20 0.37
SLC6A3 Q01959 3/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
CHRM1 P11229 2/20 0.37
DRD1 P21728 2/20 0.37
SLC6A2 P23975 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
KCNH2 Q12809 2/20 0.37

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 SCHEMBL9215684 0.99 ADORA3 (0.39) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9216313 0.99 ADORA3 (0.39) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9212238 0.98 ADORA3 (0.40) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9205116 0.96 ADORA3 (0.40) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9203780 0.94 ADORA3 (0.41) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9337436 0.88 ALDH1A1 (0.38) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9212528 0.88 ALDH1A1 (0.38) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9205123 0.86 KDM4E (0.39) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9208080 0.84 KDM4E (0.39) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9212505 0.83 NPSR1 (0.53) TSHRNPSR1MEN1KMT2ACYP2C9

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 4 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
US-5336676-A [3H,7H]thiazolo[3,4-a]pyridines with antiasthmatic and antiinflammatory actions on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-08-09 US 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