SCHEMBL1382974

SCHEMBL1382974

CCOCCCC1C(C(N)=O)N(S(=O)(=O)c2ccccc2)CCN1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
LMNA P02545 1/20 0.38
FKBP1A P62942 2/20 0.38

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
SCHEMBL1382978 0.71 SMN1; SMN2 (0.53) GAAALDH1A1SMN1; SMN2MMP1MMP3
SCHEMBL6189155 0.70 MEN1 (0.50) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL1380919 0.69 CYP3A4 (0.45) MEN1KMT2AALDH1A1CYP2C19CYP3A4
SCHEMBL6190430 0.67 MEN1 (0.42) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL14417973 0.64 ALDH1A1 (0.73) MEN1KMT2AALDH1A1CYP2C19LMNA
SCHEMBL4035054 0.64 ALDH1A1 (0.39) MEN1KMT2AGAAALDH1A1CYP2C19
SCHEMBL17833176 0.62 MMP2 (0.59) GAAALDH1A1CYP2C19CYP3A4SMN1; SMN2
SCHEMBL695071 0.62 MMP2 (0.59) GAAALDH1A1CYP2C19CYP3A4SMN1; SMN2
SCHEMBL4704780 0.62 ALDH1A1 (0.46) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL5105399 0.62 CYP3A4 (0.43) MEN1KMT2ATSHRALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 2011-11-30 JP claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO disclosed