SCHEMBL21765699

SCHEMBL21765699

CCC(=O)Nc1ccc2cc(NC(C)=O)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.72
POLB P06746 5/20 0.72
NR4A1 P22736 1/20 0.72
KDM4E B2RXH2 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
HIF1A Q16665 1/20 0.58
CYP3A4 P08684 2/20 0.57
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.54
GLA P06280 1/20 0.54
TNNI3 P19429 1/20 0.54
TNNT2 P45379 1/20 0.54
TNNC1 P63316 1/20 0.54
RUNX1 Q01196 1/20 0.54

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
SCHEMBL14157781 0.93 CYP3A4 (0.65) RAB9APOLBNR4A1KDM4EL3MBTL1
SCHEMBL14584390 0.87 RAB9A (0.72) RAB9APOLBNR4A1KDM4EL3MBTL1
SCHEMBL8577441 0.87 MEN1 (0.68) RAB9AKDM4EL3MBTL1HPGDMEN1
SCHEMBL1285643 0.86 ALDH1A1 (0.73) RAB9APOLBNR4A1KDM4EL3MBTL1
SCHEMBL31152634 0.86 ALDH1A1 (0.73) RAB9APOLBNR4A1KDM4EL3MBTL1
SCHEMBL13856564 0.84 POLB (1.00) RAB9APOLBNR4A1L3MBTL1MEN1
SCHEMBL24490019 0.83 GAA (0.66) RAB9APOLBNR4A1KDM4EL3MBTL1
SCHEMBL11469528 0.83 TSHR (0.58) RAB9APOLBNR4A1KDM4EL3MBTL1
SCHEMBL11809713 0.83 CYP3A4 (0.63) RAB9APOLBNR4A1KDM4EL3MBTL1
SCHEMBL9428464 0.81 MTNR1A (0.65) RAB9APOLBKDM4EL3MBTL1HPGD

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed