SCHEMBL28847386

SCHEMBL28847386

COc1cc(F)c([N+](=O)[O-])cc1C[C@@H](C(N)=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
KCNJ1 P48048 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL28847402 0.90 MAPT (0.38) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28847511 0.78 RAC1 (0.39) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28847416 0.78 HTT (0.41) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28847428 0.74 ALDH1A1 (0.40) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23524984 0.73 AAK1 (0.47) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23524981 0.73 AAK1 (0.47) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28847466 0.73 MAPT (0.39) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23525077 0.72 ITK (0.41) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23525075 0.72 ITK (0.41) HTTKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL29902923 0.71 HTT (0.43) HTTKMT2AMAPTALDH1A1SMN1; SMN2

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-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 CN disclosed