SCHEMBL9710349

SCHEMBL9710349

CCOC(=O)C(N)C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
CAD P27708 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL338079 0.83 ALOX15 (0.52) ALOX15ALDH1A1HPGDCADHSD17B10
Hydrochloric Acid SCHEMBL275716 0.80 ALOX15 (0.50) ALOX15ALDH1A1HPGDCADHSD17B10
SCHEMBL2372063 0.77 ALOX15 (0.48) ALOX15ALDH1A1HPGDAURKANTRK1
SCHEMBL2117569 0.77 ALDH1A1 (0.56) ALOX15ALDH1A1HPGDAURKANTRK1
SCHEMBL15083214 0.76 ALOX15 (0.46) ALOX15ALDH1A1CADHSD17B10LMNA
SCHEMBL4405650 0.76 ALOX15 (0.46) ALOX15ALDH1A1CADHSD17B10LMNA
SCHEMBL1340978 0.76 ALDH1A1 (0.48) ALOX15ALDH1A1HPGDCADHSD17B10
Acetic Acid SCHEMBL28002636 0.76 ALDH1A1 (0.48) ALOX15ALDH1A1HPGDCADHSD17B10
SCHEMBL12582818 0.76 ALOX15 (0.46) ALOX15ALDH1A1CADHSD17B10LMNA
Hydrochloric Acid SCHEMBL11068821 0.76 ALOX15 (0.46) ALOX15ALDH1A1HPGDAURKANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed