SCHEMBL17899648

SCHEMBL17899648

CC(=O)Nc1ccc(S(=O)(=O)N2CC=C(C(=O)NOC3CCCCO3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 2/20 0.42

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
SCHEMBL17899697 0.89 LMNA (0.43) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL17899694 0.87 PKM (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL17899650 0.87 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL17897332 0.87 EPHX2 (0.41) KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL17899649 0.87 KMT2A (0.41) KMT2AMEN1SMN1; SMN2L3MBTL1POLB
SCHEMBL17899639 0.86 PKM (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL17899647 0.86 ALDH1A1 (0.48) KMT2AALDH1A1LMNA
SCHEMBL17899643 0.86 GAA (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL17899640 0.86 GAA (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL17899628 0.85 EPHX2 (0.44) KMT2AALDH1A1SMN1; SMN2NPC1GAA

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