SCHEMBL25937249

SCHEMBL25937249

NCC(=O)n1ccc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
TSHR P16473 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
TFPI2 P48307 1/20 0.43
NPY4R P50391 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
Hydrochloric Acid SCHEMBL25430303 0.98 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL5070937 0.89 NOTUM (0.58) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL31470926 0.84 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL6665481 0.84 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL2997057 0.83 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL30452280 0.83 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL10837613 0.83 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL17287275 0.80 L3MBTL1 (0.57) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL3397331 0.80 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL10836168 0.80 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1LMNA

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