SCHEMBL8698541

SCHEMBL8698541

NC(=O)C1Cc2ccccc2CN1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
HTR1A P08908 10/20 0.55
HTR7 P34969 10/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
PABPC1 P11940 1/20 0.51
CFTR P13569 3/20 0.47
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46
ACE P12821 2/20 0.45

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
SCHEMBL8495772 0.88 LMNA (0.61) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL18773975 0.81 LMNA (0.51) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL30377746 0.81 CXCR3 (0.54) HTR1AHTR7HTR2AHTR6
SCHEMBL27431297 0.79 POLB (0.65) PKMHTR1AHTR7GAAALDH1A1
SCHEMBL23093165 0.78 LMNA (0.55) LMNAPKMHTR1AHTR7GAA
SCHEMBL4111979 0.78 TDP1 (0.62) LMNAPKMHTR1AHTR7GAA
SCHEMBL29715382 0.78 LMNA (0.55) LMNAPKMHTR1AHTR7GAA
SCHEMBL1690525 0.78 LMNA (0.54) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL18970120 0.78 LMNA (0.54) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL12518071 0.76 LMNA (0.61) LMNAPKMGAAALDH1A1SMN1; SMN2

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-1998047877-A1 2-BENZOYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HEPATIC PRODUCTION OF APOB-100 GLAXO GROUP LIMITED (GB) 1998-10-29 WO disclosed