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SCHEMBL3949157

SCHEMBL3949157

COc1cccc(CCC2=C(C(=O)OCc3ccc(F)c(C#N)c3)C(c3ccc(F)cc3)NC(=O)N2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.53
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.43

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
SCHEMBL3951605 0.95 RXFP1 (0.46) RXFP1MEN1KMT2ALMNA
SCHEMBL3942352 0.95 PKM (0.47) RXFP1MEN1KMT2APKM
SCHEMBL3942078 0.94 PKM (0.46) RXFP1PKM
SCHEMBL3944657 0.93 PKM (0.52) RXFP1PKM
SCHEMBL3949121 0.92 RXFP1 (0.60) RXFP1MEN1KMT2ALMNATSHR
SCHEMBL3942701 0.91 PKM (0.44) RXFP1PKM
SCHEMBL3942026 0.91 PKM (0.44) RXFP1PKM
SCHEMBL3952520 0.90 RXFP1 (0.53) RXFP1MEN1KMT2ALMNATSHR
SCHEMBL3951498 0.90 RXFP1 (0.42) RXFP1MEN1KMT2ALMNAPKM
SCHEMBL3951199 0.89 RXFP1 (0.48) RXFP1TSHRHTT

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed