SCHEMBL28936152

SCHEMBL28936152

CNc1c(N2CCN[C@@H](C)C2)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.40
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR7 P34969 1/20 0.36
GAA P10253 1/20 0.35
HTR1A P08908 2/20 0.35
HTR2C P28335 1/20 0.34
HSD11B1 P28845 1/20 0.34
BRPF1 P55201 2/20 0.34
BRD4 O60885 1/20 0.34

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 0.84 MAPT (0.60) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL6196541 0.84 MAPT (0.60) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL6197167 0.84 MAPT (0.60) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL28936147 0.82 ALDH1A1 (0.53) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL28936369 0.78 HDAC1 (0.42) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL5235239 0.76 CTSB (0.53) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL4245020 0.75 AR (0.60) MAPTALDH1A1LMNAHTTGAA
SCHEMBL3620476 0.75 AR (0.60) MAPTALDH1A1LMNAHTTGAA
SCHEMBL6202631 0.75 MAPT (0.39) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL2895166 0.72 CYP1A2 (0.60) MAPTALDH1A1LMNAPOLBKMT2A

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