SCHEMBL28979996

SCHEMBL28979996

Cc1cc[n+](CCCC[n+]2ccc(-c3ccc(N(c4ccc(-c5cc[n+](CCCC[n+]6ccc(C)cc6)cc5)cc4)c4ccc(-c5cc[n+](CCCC[n+]6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHKA P35790 2/20 0.44
ALDH1A1 P00352 1/20 0.42
CHRNA7 P36544 2/20 0.41
CHRNA10 Q9GZZ6 2/20 0.41
CHRNA9 Q9UGM1 2/20 0.41
KDM4A O75164 2/20 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
SCHEMBL30420349 0.85 KMT2A (0.64) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL25525855 0.84 MEN1 (0.42) HTTMEN1TP53CYP1A2CYP2D6
Bromide SCHEMBL25241722 0.82 MEN1 (0.41) HTTMEN1TP53CYP1A2CYP2D6
Bromide SCHEMBL25241723 0.82 MEN1 (0.41) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL12533280 0.79 HTT (0.77) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL4403595 0.77 HTT (0.82) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL12533274 0.77 HTT (0.82) HTTMEN1TP53CYP1A2CYP2D6
Iodide SCHEMBL1932275 0.77 HTT (0.74) HTTMEN1TP53CYP1A2CYP2D6
SCHEMBL2872450 0.76 HTT (0.95) HTTMEN1TP53CYP1A2CYP2D6
Bromide SCHEMBL30903821 0.75 HTT (0.78) HTTMEN1TP53CYP1A2CYP2D6

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
CN-115893447-A Preparation method of high-purity sodium nitroprusside bulk drug 安徽普利药业有限公司 2023-04-04 CN disclosed