SCHEMBL5873950

SCHEMBL5873950

O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(Oc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.42
TLK2 Q86UE8 1/20 0.42
NEK7 Q8TDX7 1/20 0.42
NEK6 Q9HC98 1/20 0.42
AKR1C3 P42330 1/20 0.39
PPARG P37231 6/20 0.38
CSNK2A1 P68400 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CHEK2 O96017 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL5873943 1.00 MAP3K11 (0.42) MAP3K11TLK2NEK7NEK6AKR1C3
SCHEMBL5873884 0.92 TLK2 (0.46) MAP3K11TLK2NEK7NEK6CSNK2A1
SCHEMBL5873888 0.92 TLK2 (0.46) MAP3K11TLK2NEK7NEK6CSNK2A1
SCHEMBL5182734 0.92 TLK2 (0.41) MAP3K11TLK2NEK7NEK6P2RX3
SCHEMBL5182729 0.92 TLK2 (0.41) MAP3K11TLK2NEK7NEK6P2RX3
SCHEMBL5873829 0.90 MAP3K11 (0.48) MAP3K11TLK2NEK7NEK6ALDH1A1
SCHEMBL5873843 0.90 MAP3K11 (0.48) MAP3K11TLK2NEK7NEK6ALDH1A1
SCHEMBL5873846 0.86 TLK2 (0.50) MAP3K11TLK2NEK7NEK6CSNK2A1
SCHEMBL5873853 0.86 TLK2 (0.50) MAP3K11TLK2NEK7NEK6CSNK2A1
SCHEMBL5893617 0.85 TLK2 (0.44) MAP3K11TLK2NEK7NEK6ALDH1A1

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 4 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
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed