SCHEMBL29073229

SCHEMBL29073229

CCCCCC[n+]1ccc(-c2n(C)c3ccccc3[n+]2C)cc1.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.52
HTT P42858 6/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38

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
SCHEMBL29737321 1.00 ERAP1 (0.52) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL29073217 0.93 ERAP1 (0.52) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL29737336 0.93 ERAP1 (0.52) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL29549686 0.77 PTPN1 (0.45) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL29737346 0.76 ERAP1 (0.40) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL27089906 0.76 ERAP1 (0.40) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL29073236 0.76 ERAP1 (0.58) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL29737428 0.76 ERAP1 (0.58) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL30145235 0.76 ERAP1 (0.73) ERAP1HTTKDM4ELMNARAB9A
SCHEMBL13173879 0.76 ERAP1 (0.73) ERAP1HTTKDM4ELMNARAB9A

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-116783168-A Electrochromic compounds and optical articles comprising the same 依视路国际公司 2023-09-19 CN disclosed