SCHEMBL7314031

SCHEMBL7314031

Cc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
MMP12 P39900 1/20 1.00
ALDH1A1 P00352 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
POLB P06746 2/20 0.74
HTT P42858 1/20 0.74
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
TRIM24 O15164 1/20 0.53
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
CYP1A2 P05177 2/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
CYP2C9 P11712 2/20 0.49
TBXAS1 P24557 1/20 0.49
KIF11 P52732 1/20 0.49
ROCK2 O75116 1/20 0.48

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
SCHEMBL1559008 0.88 MAPT (0.79) MAPTNPC1RAB9AMMP12ALDH1A1
Hydrochloric Acid SCHEMBL5771609 0.87 MAPT (0.77) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL5068409 0.85 MAPT (1.00) MAPTNPC1RAB9AMMP12ALDH1A1
Hydrochloric Acid SCHEMBL21799330 0.84 MAPT (0.97) MAPTNPC1RAB9AMMP12ALDH1A1
Hydrochloric Acid SCHEMBL8524166 0.83 MAPT (0.70) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL8525270 0.81 SMN1; SMN2 (0.70) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6651931 0.80 MAPT (0.65) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL9095198 0.80 MAPT (0.66) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL16783118 0.80 PKM (0.66) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL10662995 0.78 MAPT (0.69) MAPTNPC1RAB9AMMP12ALDH1A1

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
US-4721721-A 6-(4-thiazole) compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-01-26 US claimed
US-4818755-A Bicyclic heteroaryl thiazole compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATON (US) 1989-04-04 US disclosed
US-4721721-A 6-(4-thiazole) compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-01-26 US disclosed