SCHEMBL7653320

SCHEMBL7653320

Nc1nc(NCCNc2ncc(C(=O)O)c(-c3ccc(-c4cnco4)cc3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.45
GSK3A P49840 3/20 0.45
CDK1 P06493 2/20 0.45
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
AAK1 Q2M2I8 2/20 0.38
SYK P43405 3/20 0.36
POLB P06746 1/20 0.33
PORCN Q9H237 1/20 0.32
HDAC3 O15379 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL5100090 0.89 GSK3B (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL27538023 0.85 GSK3B (0.42) GSK3BSYKPOLBKDM4EALDH1A1
SCHEMBL27559810 0.84 GSK3B (0.46) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6085617 0.82 STAT6 (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5093517 0.76 GSK3B (0.70) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5095204 0.75 MAPT (0.44) GSK3BPOLBNPC1RAB9AKDM4E
SCHEMBL7021332 0.74 EIF4E (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL27541514 0.73 MKNK1 (0.43) GSK3BPOLBKDM4EALDH1A1LMNA
SCHEMBL5089316 0.73 GSK3B (0.48) GSK3BPOLBNPC1RAB9AKDM4E
SCHEMBL5089374 0.73 GSK3B (0.42) GSK3BGSK3ACDK1CCNB2CCNB1

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
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed