SCHEMBL31329337

SCHEMBL31329337

Brc1ccc2nc(NCc3ccccc3)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
RAB9A P51151 4/20 0.71
LMNA P02545 3/20 0.71
HTT P42858 2/20 0.71
GFER P55789 1/20 0.71
HIF1A Q16665 1/20 0.71
TP53 P04637 2/20 0.68
HDAC6 Q9UBN7 2/20 0.65
TYMS P04818 2/20 0.53
PIM1 P11309 1/20 0.51
RECQL P46063 1/20 0.48
ESR1 P03372 1/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
XDH P47989 1/20 0.47
ALKBH3 Q96Q83 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL31329355 0.90 RAB9A (0.58) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL31329352 0.85 RAB9A (0.53) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL18058955 0.83 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL27915818 0.82 RAB9A (0.77) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL31329346 0.82 RAB9A (0.77) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL31329342 0.82 RAB9A (0.71) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL31329340 0.82 RAB9A (1.00) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL3593419 0.82 RAB9A (1.00) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL19840422 0.80 RAB9A (0.70) SMN1; SMN2RAB9ALMNAHTTGFER
SCHEMBL19029334 0.79 HDAC6 (1.00) SMN1; SMN2RAB9ALMNAHTTGFER

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-119330886-A Benzimidazole amine derivative, preparation method thereof and beta2Use of allosteric antagonists of adrenergic receptors 常州大学 2025-01-21 CN disclosed