SCHEMBL17899697

SCHEMBL17899697

Cc1ccc(S(=O)(=O)N2CC=C(C(=O)NOC3CCCCO3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
ALOX12 P18054 1/20 0.43
PKM P14618 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL17899650 0.90 KMT2A (0.46) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL17899694 0.90 PKM (0.48) PKMALDH1A1MEN1KMT2AEPHX2
SCHEMBL17897332 0.90 EPHX2 (0.41) ALDH1A1KMT2AEPHX2GAA
SCHEMBL17899649 0.90 KMT2A (0.41) MAPTPKMMEN1KMT2AEPHX2
SCHEMBL17899639 0.90 PKM (0.43) LMNAMAPTPKMALDH1A1MEN1
SCHEMBL17899643 0.89 GAA (0.43) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL17899640 0.89 GAA (0.42) ALDH1A1MEN1KMT2AEPHX2GAA
SCHEMBL17899686 0.89 EPHX2 (0.44) ALDH1A1MEN1KMT2AEPHX2GAA
SCHEMBL17899648 0.89 KMT2A (0.48) LMNAALDH1A1MEN1KMT2ANPC1
SCHEMBL17899628 0.88 EPHX2 (0.44) MAPTPKMALDH1A1KMT2AEPHX2

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