SCHEMBL5873984

SCHEMBL5873984

O=C1Nc2ccc3ncccc3c2C1=CNc1ccc(Oc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PPARG P37231 9/20 0.39
ALDH1A1 P00352 1/20 0.38
TLK2 Q86UE8 1/20 0.37
CHEK2 O96017 1/20 0.37
RAB9A P51151 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL5873982 1.00 AKR1C3 (0.40) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5873873 0.93 RAB9A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5873878 0.93 RAB9A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5419216 0.91 TLK2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5419218 0.91 TLK2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5873697 0.90 ERBB2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5430431 0.90 ERBB2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5430428 0.90 ERBB2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7732189 0.87 IL1B (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7732180 0.87 IL1B (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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