SCHEMBL30947752

SCHEMBL30947752

CCC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SIRT6 Q8N6T7 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CTPS1 P17812 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
RAB9A P51151 1/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL28528144 1.00 MAPT (0.43) MAPTALDH1A1CYP3A4BLMPMP22
SCHEMBL28528143 1.00 MAPT (0.43) MAPTALDH1A1CYP3A4BLMPMP22
SCHEMBL28528146 1.00 MAPT (0.43) MAPTALDH1A1CYP3A4BLMPMP22
SCHEMBL28535077 0.90 MAPT (0.44) MAPTALDH1A1SIRT6SMN1; SMN2RAB9A
SCHEMBL28907758 0.90 MAPT (0.44) MAPTALDH1A1SIRT6SMN1; SMN2RAB9A
SCHEMBL28535079 0.90 MAPT (0.44) MAPTALDH1A1SIRT6SMN1; SMN2RAB9A
SCHEMBL28907759 0.90 MAPT (0.44) MAPTALDH1A1SIRT6SMN1; SMN2RAB9A
SCHEMBL28535078 0.90 MAPT (0.44) MAPTALDH1A1SIRT6SMN1; SMN2RAB9A
SCHEMBL28533547 0.87 MAPT (0.50) MAPTALDH1A1SIRT6SMN1; SMN2KMT2A
SCHEMBL28525541 0.87 MAPT (0.50) MAPTALDH1A1SIRT6SMN1; SMN2KMT2A

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-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed