SCHEMBL31073302

SCHEMBL31073302

O=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
POLB P06746 2/20 0.70
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL20676972 1.00 MAPT (0.74) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL29435521 0.87 MAPT (0.97) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL15141576 0.87 MAPT (0.97) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL3539759 0.87 MAPT (0.90) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL2722856 0.85 MAPT (1.00) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL29437410 0.85 MAPT (1.00) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL2726097 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL521907 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL29349693 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL1392957 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2

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-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed