SCHEMBL31662900

SCHEMBL31662900

CNc1cc(CN)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACHE P22303 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
KIT P10721 1/20 0.41
CSF1R P07333 1/20 0.41
MAPK8 P45983 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL27796411 0.84 SMARCA2 (0.51) BACE1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL28794140 0.84 SMN1; SMN2 (0.50) BACE1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL8257190 0.83 L3MBTL1 (0.51) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL27829779 0.83 DDB1 (0.44) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL31662840 0.82 SMN1; SMN2 (0.47) BACE1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL27796424 0.82 SMARCA2 (0.51) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL31662835 0.79 GPR119 (0.52) BACE1LMNAMAPTALDH1A1GPR119
SCHEMBL1019005 0.79 MAPT (0.62) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL27892678 0.78 GPR119 (0.44) BACE1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL31663171 0.77 SMN1; SMN2 (0.41) BACE1SMN1; SMN2MEN1KMT2ACYP2C19

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-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed