SCHEMBL25488741

SCHEMBL25488741

C=NS/C(=N\CC)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR7 P34969 1/20 0.35
PTBP1 P26599 1/20 0.35
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL18944664 0.68 ATM (0.42) LMNASMN1; SMN2HTR7PTBP1POLB
SCHEMBL23904715 0.68 MAOA (0.38) LMNASMN1; SMN2HTR7PTBP1POLB
SCHEMBL23958935 0.67 MAOA (0.37) LMNASMN1; SMN2HTR7PTBP1POLB
SCHEMBL21653426 0.66 LMNA (0.38) HDAC3HDAC1HDAC2LMNASMN1; SMN2
SCHEMBL23905794 0.64 MAOA (0.39) LMNASMN1; SMN2HTR7PTBP1POLB
SCHEMBL18809492 0.64 LMNA (0.41) LMNASMN1; SMN2HTR7PTBP1POLB
SCHEMBL23905645 0.64 ALDH1A1 (0.39) LMNASMN1; SMN2HTR7PTBP1POLB
SCHEMBL18290279 0.62 PTGIR (0.44) HDAC3HDAC1HDAC2LMNASMN1; SMN2
Alcohol SCHEMBL28041790 0.62 ACHE (0.53) LMNAHTR7CES2CES1ALDH1A1
SCHEMBL10413993 0.61 MAOA (0.55) LMNASMN1; SMN2HTR7PTBP1MAOA

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-2023084449-A1 DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-05-19 WO disclosed