SCHEMBL17899649

SCHEMBL17899649

O=C(NOC1CCCCO1)C1=CCN(S(=O)(=O)c2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 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
SCHEMBL17899699 0.97 KMT2A (0.39) KMT2APOLBEPHX2KDM4EL3MBTL1
SCHEMBL17897332 0.90 EPHX2 (0.41) KMT2AEPHX2SMN1; SMN2GAA
SCHEMBL17899697 0.90 LMNA (0.43) KMT2AEPHX2KDM4EPKMTDP1
SCHEMBL17899639 0.90 PKM (0.43) KMT2AEPHX2SMN1; SMN2PKMGAA
SCHEMBL17899640 0.89 GAA (0.42) KMT2AEPHX2SMN1; SMN2GAAMEN1
SCHEMBL17899688 0.89 ALDH1A1 (0.46) KMT2APOLBSMN1; SMN2PKMGAA
SCHEMBL17899628 0.88 EPHX2 (0.44) KMT2AEPHX2SMN1; SMN2PKMGAA
SCHEMBL17899650 0.88 KMT2A (0.46) KMT2AEPHX2GAAMEN1MAPT
SCHEMBL17899694 0.88 PKM (0.48) KMT2APOLBEPHX2KDM4ESMN1; SMN2
SCHEMBL17899645 0.88 ATR (0.37) KMT2AKDM4EL3MBTL1PKMTDP1

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