SCHEMBL7317599

SCHEMBL7317599

CN1C(=O)CCc2cc(C(=O)CBr)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.44
CYP11B1 P15538 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GNG2 P59768 1/20 0.40
GNB1 P62873 1/20 0.40
SYK P43405 1/20 0.40
TYRO3 Q06418 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL10861761 0.87 MAPT (0.46) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL19357099 0.87 SMYD3 (0.52) HPGDMAPTHDAC1GSK3BSMYD3
SCHEMBL8524330 0.86 MAPT (0.52) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL10563001 0.84 TMEM97 (0.46) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL10861752 0.84 SIRT2 (0.45) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL10838349 0.83 CYP11B1 (0.42) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL27611336 0.82 HSD17B3 (0.44) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL20894244 0.82 LMNA (0.56) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL29630982 0.82 LMNA (0.56) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL10565741 0.82 MAPT (0.58) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0207140-A4 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. RORER INTERNAT OVERSEAS INC (US) 1987-06-15 EP disclosed
EP-0207140-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-01-07 EP disclosed
WO-1986003749-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-07-03 WO disclosed