SCHEMBL7332995

SCHEMBL7332995

NC(=O)NSc1ccc(CCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
STS P08842 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ST14 Q9Y5Y6 1/20 0.38
MLYCD O95822 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36

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
SCHEMBL4700346 0.77 ESRRG (0.54) CA1CA2STSPOLBALDH1A1
SCHEMBL4475970 0.77 KDM4E (0.51) CA1CA2POLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7334449 0.76 ESRRG (0.52) CA1CA2STSPOLBALDH1A1
SCHEMBL4179064 0.76 HPGD (0.57) CA1CA2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6433557 0.76 KDM4E (0.61) CA1CA2POLBALDH1A1SMN1; SMN2
SCHEMBL27668155 0.76 CYP4A11 (0.43) CA1CA2ALDH1A1TDP1GAA
SCHEMBL5553483 0.74 PLAAT3 (0.58) POLBALDH1A1SMN1; SMN2MLYCDKMT2A
SCHEMBL419646 0.74 CNR1 (0.50) CA1CA2POLBALDH1A1SMN1; SMN2
SCHEMBL1094537 0.74 CNR1 (0.57) SMN1; SMN2GAAPLAAT3PLAAT5PLAAT2
SCHEMBL4702861 0.74 ALDH1A1 (0.47) CA1CA2STSPOLBALDH1A1

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-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed