SCHEMBL4521555

SCHEMBL4521555

COc1ccc(CCC2=C(C(=O)OCc3cccc(C#N)c3)C(c3ccc(F)cc3)NC(=O)N2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3943432 0.94 RXFP1 (0.51) RXFP1MEN1KMT2ATSHRHTT
SCHEMBL3952520 0.94 RXFP1 (0.53) RXFP1MEN1KMT2ALMNATSHR
SCHEMBL3952481 0.93 PKM (0.54) RXFP1TSHRHTT
SCHEMBL3945413 0.93 MEN1 (0.52) MEN1KMT2A
SCHEMBL3942708 0.92 RXFP1 (0.55) RXFP1MEN1KMT2ATSHRHTT
SCHEMBL3945499 0.92 TSHR (0.49) RXFP1MEN1KMT2ATSHRHTT
SCHEMBL4533026 0.91 PKM (0.52) RXFP1TSHRHTT
SCHEMBL3951120 0.90 TSHR (0.47) TSHRHTT
SCHEMBL3944881 0.90 RXFP1 (0.65) RXFP1MEN1KMT2ALMNATSHR
SCHEMBL3943436 0.88 TSHR (0.46) 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