SCHEMBL5873884

SCHEMBL5873884

O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 3/20 0.46
MAP3K11 Q16584 1/20 0.46
NEK7 Q8TDX7 1/20 0.46
NEK6 Q9HC98 1/20 0.46
PIN1 Q13526 4/20 0.34
RAB9A P51151 4/20 0.33
KMT2A Q03164 4/20 0.33
CSNK2A1 P68400 4/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PIM1 P11309 2/20 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
SCHEMBL5873888 1.00 TLK2 (0.46) TLK2MAP3K11NEK7NEK6PIN1
SCHEMBL5873853 0.94 TLK2 (0.50) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5873846 0.94 TLK2 (0.50) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5873950 0.92 MAP3K11 (0.42) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5873943 0.92 MAP3K11 (0.42) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5893610 0.91 TLK2 (0.44) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5893617 0.91 TLK2 (0.44) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5873843 0.90 MAP3K11 (0.48) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5873829 0.90 MAP3K11 (0.48) TLK2MAP3K11NEK7NEK6RAB9A
SCHEMBL5425756 0.85 TLK2 (0.48) TLK2MAP3K11NEK7NEK6RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed