SCHEMBL25828708

SCHEMBL25828708

CCC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 4/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ESR2 Q92731 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
TSPO P30536 1/20 0.50
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
ALOX5 P09917 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6121862 0.91 TSHR (0.58) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL29234307 0.87 MEN1 (0.53) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL10893742 0.85 TSPO (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL25250231 0.84 MEN1 (0.55) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL24343470 0.84 MEN1 (0.55) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL13319148 0.84 TSPO (0.51) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL12182366 0.80 SMN1; SMN2 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL25828611 0.79 TSPO (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6121816 0.79 TSHR (0.73) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL24343330 0.79 CALM1 (0.52) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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-2023018471-A9 PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed