SCHEMBL5767517

SCHEMBL5767517

CC(O)CC(c1ncccn1)S(=O)(=O)N1CCN(c2ncc(OCC(F)(F)F)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
GPR119 Q8TDV5 5/20 0.35
KCNH2 Q12809 2/20 0.35
MMP13 P45452 2/20 0.34
MMP14 P50281 1/20 0.34
OGA O60502 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 2/20 0.33
CACNA1I Q9P0X4 1/20 0.33
SORD Q00796 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5767222 0.91 LMNA (0.36) LMNAGPR119KCNH2MMP13MMP14
SCHEMBL5765295 0.90 GPR119 (0.44) GPR119KDM4EKMT2AMEN1
SCHEMBL5763519 0.77 GPR119 (0.44) GPR119KDM4E
SCHEMBL3936447 0.75 KDM4E (0.56) LMNAGPR119KCNH2MMP13MMP14
SCHEMBL3937231 0.73 MMP13 (0.44) LMNAGPR119KCNH2MMP13MMP14
SCHEMBL3943555 0.72 MMP13 (0.48) LMNAGPR119KCNH2MMP13MMP14
SCHEMBL3942361 0.70 MMP13 (0.40) LMNAGPR119KCNH2MMP13MMP14
SCHEMBL3934572 0.70 MMP13 (0.46) LMNAGPR119KCNH2MMP13MMP14
SCHEMBL13940831 0.70 MMP13 (0.46) LMNAGPR119KCNH2MMP13MMP14
SCHEMBL4720180 0.68 GPR119 (0.46) GPR119MMP13ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644340-A1 N-{'4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL]ALKYL}-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2006-04-12 EP disclosed
WO-2005000822-A1 N-{‘4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL!ALKYL}-N-HYDROXYFOMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2005-01-06 WO disclosed