SCHEMBL17899642

SCHEMBL17899642

O=C(NOC1CCCCO1)C1=CCN(S(=O)(=O)c2ccc3c(c2)OCC3)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
USP9X Q93008 4/20 0.39
EPHX2 P34913 1/20 0.37
PKM P14618 4/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CHRM5 P08912 1/20 0.35
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19472043 0.92 EPHX2 (0.36) MAPTUSP9XEPHX2PKMMEN1
SCHEMBL17899644 0.90 MAPT (0.48) MAPTUSP9XEPHX2PKMMEN1
SCHEMBL17899690 0.84 ALDH1A1 (0.46) MAPTEPHX2PKMKMT2ALMNA
SCHEMBL17899697 0.82 LMNA (0.43) MAPTEPHX2PKMMEN1KMT2A
SCHEMBL17899649 0.82 KMT2A (0.41) MAPTEPHX2PKMMEN1KMT2A
SCHEMBL17897332 0.82 EPHX2 (0.41) EPHX2KMT2AALDH1A1GAAMAPK1
SCHEMBL17899639 0.82 PKM (0.43) MAPTEPHX2PKMMEN1KMT2A
SCHEMBL17899640 0.82 GAA (0.42) EPHX2MEN1KMT2AALDH1A1GAA
SCHEMBL17899686 0.81 EPHX2 (0.44) EPHX2MEN1KMT2AALDH1A1HTT
SCHEMBL17899688 0.81 ALDH1A1 (0.46) PKMMEN1KMT2AALDH1A1POLB

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
WO-2016107544-A1 INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 WO disclosed