SCHEMBL25333331

SCHEMBL25333331

O=C(O)NCC(=O)N1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
LMNA P02545 1/20 0.64
CYP3A4 P08684 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 4/20 0.64
NOTUM Q6P988 2/20 0.64
MAPT P10636 7/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPK1 P28482 2/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
TP53 P04637 2/20 0.58
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57

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
SCHEMBL25429836 0.91 GRM7 (0.68) TSHRALDH1A1NOTUMSMN1; SMN2GRM7
SCHEMBL25430592 0.90 GRM7 (0.63) TSHRLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL5070870 0.85 TSHR (0.72) TSHRLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL23723711 0.83 TSHR (0.69) TSHRLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL308295 0.83 NOTUM (0.74) TSHRLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL25428357 0.82 ALDH1A1 (0.47) TSHRLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL30557602 0.80 NOTUM (0.56) TSHRLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL1546073 0.79 TSHR (0.77) TSHRLMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL31650229 0.78 NOTUM (1.00) TSHRL3MBTL1ALDH1A1NOTUMMAPT
SCHEMBL2278917 0.78 NOTUM (1.00) TSHRL3MBTL1ALDH1A1NOTUMMAPT

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed