SCHEMBL4033188

SCHEMBL4033188

CC(=O)[N+]1(Cc2ccc3c(c2)OCO3)CCN(S(=O)(=O)c2ccccc2)C(C(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL4032958 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNA
SCHEMBL4041586 0.75 FKBP1A (0.41) ALDH1A1
SCHEMBL4038466 0.71 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL4033190 0.70 MAPT (0.65) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6207527 0.68 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4038075 0.67 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4036533 0.64 MMP3 (0.43) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL17833176 0.63 MMP2 (0.59) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL695071 0.63 MMP2 (0.59) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7346677 0.63 MMP1 (0.54) ALDH1A1KMT2AMEN1TSHR

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed