SCHEMBL28936147

SCHEMBL28936147

C[C@H]1CN(c2cccc([N+](=O)[O-])c2F)CCN1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
LMNA P02545 5/20 0.53
MAPT P10636 9/20 0.53
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
HTR2C P28335 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6195201 0.87 MAPT (0.60) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL6196541 0.87 MAPT (0.60) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL6197167 0.87 MAPT (0.60) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL28936152 0.82 MAPT (0.51) ALDH1A1LMNAMAPTGAAHTT
SCHEMBL4245020 0.77 AR (0.60) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL3620476 0.77 AR (0.60) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL4826536 0.77 ALDH1A1 (0.73) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL31702110 0.77 ALDH1A1 (0.73) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL28773806 0.75 MAPT (0.58) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL29606963 0.75 MAPT (0.58) ALDH1A1LMNAMAPTGAASMN1; 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-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed