SCHEMBL28870972

SCHEMBL28870972

Cc1ccc(C(=O)O)c(N=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.52
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CLCN2 P51788 1/20 0.42
ACLY P53396 1/20 0.42
MCL1 Q07820 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
MAOB P27338 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 3/20 0.40

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
SCHEMBL18971050 0.84 GAA (0.39) CSNK2A1ALDH1A1MEN1KMT2APOLB
SCHEMBL9892495 0.84 CSNK2A1 (0.57) CSNK2A1ALDH1A1MEN1KMT2AMCL1
SCHEMBL19699140 0.78 CSNK2A1 (0.46) CSNK2A1ALDH1A1MEN1KMT2ACLCN2
SCHEMBL18971183 0.78 ALDH1A1 (0.37) CSNK2A1ALDH1A1MEN1KMT2AACLY
SCHEMBL14310351 0.78 KDM4E (0.48) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL14516405 0.78 CA12 (0.57) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL8899172 0.78 MEN1 (0.42) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL31627797 0.76 CSNK2A1 (0.68) CSNK2A1ALDH1A1MEN1KMT2ACLCN2
SCHEMBL467550 0.76 CSNK2A1 (0.68) CSNK2A1ALDH1A1MEN1KMT2ACLCN2
SCHEMBL14392258 0.76 CYP1A2 (0.39) ALDH1A1MEN1KMT2ACA12CA1

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-115227835-A Dual-mode imaging nanoprobe based on NTR and AzoR response, preparation method and application 宁波市第一医院 2022-10-25 CN disclosed