SCHEMBL24525751

SCHEMBL24525751

CCN(CC=O)CCN(C)c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
KDR P35968 1/20 0.32
TLR9 Q9NR96 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
ALDH3A1 P30838 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CB P42338 1/20 0.30
KCNH2 Q12809 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL23334546 0.90 MAPT (0.42) MAPTRAB9AHTTPOLBKDR
SCHEMBL10265072 0.80 MAPT (0.42) MAPTRAB9APOLBKDRCHRNB2
SCHEMBL6741043 0.80 MAPT (0.49) MAPTRAB9AHTTPOLBKDR
SCHEMBL4525335 0.76 ALDH1A1 (0.49) MAPTRAB9AHTTPOLBSMN1; SMN2
SCHEMBL2791587 0.74 MAPT (0.39) MAPTRAB9APOLBKDRCHRNB2
SCHEMBL1099100 0.70 RAB9A (0.45) MAPTRAB9APOLBSMN1; SMN2
SCHEMBL16230053 0.70 MAPT (0.40) MAPTRAB9AHTTPOLBALDH3A1
SCHEMBL21640132 0.70 MAPT (0.36) MAPTRAB9APOLBKDRCHRNB2
SCHEMBL14933939 0.68 TLR9 (0.37) MAPTRAB9AHTTPOLBTLR9
SCHEMBL30116117 0.67 MAPT (0.38) MAPTRAB9AHTTPOLBTLR9

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-2022133215-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2022-06-23 WO disclosed