SCHEMBL6504831

SCHEMBL6504831

COC(=O)c1cc2c(OCC(=O)O)ccnc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
CSNK2A1 P68400 2/20 0.48
KDR P35968 1/20 0.48
PAK4 O96013 1/20 0.46
AKT1 P31749 1/20 0.46
PLK1 P53350 1/20 0.46
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SHMT2 P34897 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL8805684 0.77 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL32686207 0.77 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL32686086 0.75 CSNK2A2 (0.48) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL4124241 0.69 KDM4E (0.66) KDM4EHPGDALDH1A1POLBSMN1; SMN2
SCHEMBL15309635 0.69 SRC (0.55) KDRPOLBSMN1; SMN2
SCHEMBL27084096 0.68 KDM4E (0.41) CSNK2A1KDM4EALDH1A1SHMT2SMN1; SMN2
SCHEMBL1098501 0.68 HPGD (0.54) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL6507663 0.68 GRIN3B (0.49) KDRKDM4EHPGDALDH1A1HSD17B10
SCHEMBL843921 0.67 KDM4E (0.54) CSNK2A2CSNK2BCSNK2A1KDRKDM4E
Hydrochloric Acid SCHEMBL26117682 0.67 KDM4E (0.40) CSNK2A1KDM4EALDH1A1SHMT2SMN1; SMN2

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-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed