SCHEMBL9457641

SCHEMBL9457641

CCOC(=O)NCC(N)=S

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
GAA P10253 3/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.36
ACHE P22303 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
SCHEMBL7769472 0.83 ALOX15 (0.48) ALOX15GAAMGAMSIMGAM2
SCHEMBL14444174 0.79 ALOX15 (0.44) ALOX15GAAMGAMSIMGAM2
SCHEMBL15219640 0.78 GAA (0.42) ALOX15GAAMGAMSIMGAM2
SCHEMBL2482646 0.76 GAA (0.59) GAAMGAMSIMGAM2EGLN1
SCHEMBL2651973 0.76 ALDH1A1 (0.46) ALOX15GAAMGAMSIMGAM2
SCHEMBL1912605 0.76 EGLN1 (0.63) ALOX15GAAMGAMSIMGAM2
SCHEMBL602822 0.75
SCHEMBL11184401 0.74 ALDH1A1 (0.56) GAAMGAMSIMGAM2EGLN1
SCHEMBL9129733 0.74 GAA (0.42) ALOX15GAAMGAMSIMGAM2
SCHEMBL12467409 0.74 GAA (0.42) ALOX15GAAMGAMSIMGAM2

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-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed