SCHEMBL5315985

SCHEMBL5315985

C[S+]([O-])c1nccc(N(c2nccc(-c3ccccc3)n2)S(C)(=O)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.32
▸ DUSP10 Q9Y6W6 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL5914308 0.82 AURKA (0.39) IKBKBAURKAHSP90AA1PRKACAADORA2A
SCHEMBL27997668 0.78 AURKA (0.50) IKBKBAURKAHSP90AA1PRKACAADORA2A
SCHEMBL5914113 0.74 MEN1 (0.39) IKBKBAURKAHSP90AA1PRKACAADORA2A
SCHEMBL28886710 0.64 AURKA (0.55) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL4490141 0.64 MEN1 (0.49) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL14507076 0.64 IKBKB (0.46) IKBKBAURKAHSP90AA1PRKACAADORA2A
SCHEMBL5914297 0.64 GABRA1 (0.38) ADORA2A
SCHEMBL4447801 0.63 BPTF (0.54) IKBKBAURKAHSP90AA1PRKACAADORA2A
SCHEMBL5914145 0.62 IKBKB (0.37) IKBKBAURKAHSP90AA1PRKACAADORA2A
SCHEMBL14507077 0.62 HSP90AA1 (0.41) IKBKBAURKAHSP90AA1PRKACAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
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