SCHEMBL3440299

SCHEMBL3440299

Cc1cc(O)cc(C)c1S(=O)(=O)N(C)CCC(=O)Nc1ccc(N2CCC(c3cn(C)cn3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 13/20 0.38
ALDH1A1 P00352 4/20 0.38
BDKRB1 P46663 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 3/20 0.36
NR4A1 P22736 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
GLA P06280 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
SCHEMBL12916582 0.93 MAPT (0.41) L3MBTL1MAPTALDH1A1KMT2AGAA
SCHEMBL12010119 0.92 BDKRB1 (0.47) MAPTBDKRB1POLBKMT2AGAA
SCHEMBL15372649 0.81 BDKRB1 (0.47) MAPTALDH1A1BDKRB1KDM4EKMT2A
SCHEMBL14958727 0.78 SMN1; SMN2 (0.45) L3MBTL1MAPTALDH1A1BDKRB1KDM4E
SCHEMBL12010118 0.77 BDKRB1 (0.47) BDKRB1POLBGAALMNAMAPK1
SCHEMBL3440525 0.77 BDKRB1 (0.48) MAPTBDKRB1POLBGAALMNA
SCHEMBL12914508 0.76 POLB (0.55) MAPTBDKRB1POLBKMT2AGAA
SCHEMBL3440009 0.75 BDKRB1 (0.51) MAPTBDKRB1POLBGAALMNA
SCHEMBL3440280 0.75 BDKRB1 (0.51) MAPTBDKRB1POLBGAALMNA
SCHEMBL3440282 0.74 BDKRB1 (0.53) MAPTBDKRB1POLBGAALMNA

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-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed