SCHEMBL28847388

SCHEMBL28847388

CC(c1cc(N)c([N+](=O)[O-])cc1Br)C(C(N)=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 6/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
AVPR1A P37288 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28847499 0.82 ALDH1A1 (0.37) MAPTNPC1RAB9ASMN1; SMN2AAK1
SCHEMBL28847447 0.81 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28847456 0.81 NPC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28847474 0.79 ALDH1A1 (0.36) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28847454 0.77 ALDH1A1 (0.38) MAPTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL28847427 0.76 AAK1 (0.39) MAPTRAB9ASMN1; SMN2AAK1KMT2A
SCHEMBL28847416 0.74 HTT (0.41) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23525112 0.74 ITK (0.42) MAPTNPC1RAB9ASMN1; SMN2AAK1
SCHEMBL23525115 0.74 ITK (0.42) MAPTNPC1RAB9ASMN1; SMN2AAK1
SCHEMBL28847449 0.73 MAPT (0.41) MAPTNPC1RAB9AALDH1A1GAA

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