SCHEMBL8547733

SCHEMBL8547733

O=C(COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1)Nc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
LMNA P02545 5/20 0.70
TP53 P04637 1/20 0.63
THRB P10828 1/20 0.63
NAMPT P43490 2/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
GALR3 O60755 2/20 0.52
STAT3 P40763 1/20 0.52
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
F2 P00734 1/20 0.50
HPGD P15428 1/20 0.49
NR3C1 P04150 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL8545052 0.89 MAPT (0.58) MAPTLMNATP53THRBNAMPT
SCHEMBL7334961 0.88 MAPT (0.62) MAPTLMNATP53THRBNAMPT
SCHEMBL7360099 0.87 LMNA (0.55) MAPTLMNATP53THRBNAMPT
SCHEMBL8542813 0.82 F2 (0.73) MAPTF2NR3C1
SCHEMBL7324331 0.82 CA12 (0.61) MAPTLMNATP53THRBMEN1
SCHEMBL7329347 0.81 KMT2A (0.70) MAPTLMNATP53MEN1KMT2A
SCHEMBL7334463 0.79 LMNA (0.67) LMNATP53NAMPTMEN1KMT2A
SCHEMBL3279971 0.78 MAPT (0.61) MAPTLMNATP53THRBMEN1
SCHEMBL7333708 0.77 MAPT (0.60) MAPTLMNATP53THRBNR3C1
SCHEMBL7327269 0.77 F2 (0.66) MAPTLMNANAMPTMEN1KMT2A

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed