SCHEMBL30985129

SCHEMBL30985129

CC(C)(C)OC(=O)N1CCC2(CCN(C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GPR119 Q8TDV5 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP11B2 P19099 1/20 0.43
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL30985146 0.94 MAPT (0.67) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30984714 0.93 MAPT (0.64) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30984960 0.90 MAPT (0.72) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL30985145 0.87 MAPT (0.69) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30722421 0.87 MAPT (0.78) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30981045 0.87 MAPT (0.60) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL12005014 0.86 MAPT (0.69) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL28925340 0.85 MAPT (0.68) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL4295931 0.85 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL4295926 0.85 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2CYP1A2

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
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed