SCHEMBL31459664

SCHEMBL31459664

Cc1cccc(F)c1CC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
BACE1 P56817 1/20 0.42
ACHE P22303 1/20 0.40
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
EED O75530 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PKM P14618 1/20 0.35
MAPK8 P45983 1/20 0.34
GAA P10253 1/20 0.33
PLAU P00749 1/20 0.33
CA5A P35218 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CD38 P28907 1/20 0.32

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
SCHEMBL31459659 0.79 LMNA (0.42) BACE1ACHEEEDTAAR1PKM
SCHEMBL20548686 0.78 BACE1 (0.63) BACE1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9237437 0.76 BACE1 (0.61) BACE1HTR3EHTR3BHTR3AHTR3D
SCHEMBL19290092 0.76 ACHE (0.41) ACHEEEDPKMGAAALDH1A1
SCHEMBL28153560 0.76 KDM4E (0.50) ACHEGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6405863 0.74 ACHE (0.48) ACHEEEDTAAR1PKMGAA
SCHEMBL2087457 0.74 ACHE (0.48) ACHEEEDTAAR1PKMGAA
SCHEMBL22520955 0.72 TAAR1 (0.59) HTR1DACHETAAR1PKMSMN1; SMN2
SCHEMBL28724963 0.71 SMN1; SMN2 (0.51) GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL31459639 0.71 HDAC4 (0.35) ACHEEEDPKMSMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed