SCHEMBL3115362

SCHEMBL3115362

CN1C(=O)C(Cc2cccs2)N(C)C(=O)C1=Cc1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
PKM P14618 2/20 0.31
LMNA P02545 1/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3118211 0.84 MAPT (0.41) MAPTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL3114641 0.83 XDH (0.46) MAPTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL3113702 0.83 GFER (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4234097 0.83 GFER (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3119585 0.72 GFER (0.39) MEN1KMT2AALDH1A1HDAC6
SCHEMBL4236498 0.72 GFER (0.39) MEN1KMT2AALDH1A1HDAC6
SCHEMBL3119429 0.71 GFER (0.37) MAPTALDH1A1HDAC2HDAC8HDAC6
SCHEMBL3119435 0.71 GFER (0.37) MAPTALDH1A1HDAC2HDAC8HDAC6
SCHEMBL3121578 0.69 MMP2 (0.36) MAPTMEN1KMT2AALDH1A1HDAC6
SCHEMBL3121585 0.69 MMP2 (0.36) MAPTMEN1KMT2AALDH1A1HDAC6

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-1971581-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-04-07 EP disclosed