SCHEMBL3949121

SCHEMBL3949121

COc1ccc(CCC2=C(C(=O)OCc3ccc(F)c(C#N)c3)C(c3ccc(F)cc3)NC(=O)N2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.60
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK10 P53779 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3950755 0.94 RXFP1 (0.53) RXFP1TSHRLMNAHTTMAPK10
SCHEMBL3945458 0.94 RXFP1 (0.51) RXFP1MEN1KMT2A
SCHEMBL3949157 0.92 RXFP1 (0.53) RXFP1TSHRLMNAHTTMEN1
SCHEMBL3947224 0.91 PKM (0.51) RXFP1TSHRHTTMAPK10
SCHEMBL3951199 0.91 RXFP1 (0.48) RXFP1TSHRHTTMAPK10
SCHEMBL3952043 0.89 RXFP1 (0.47) RXFP1TSHRLMNAHTTMAPK10
SCHEMBL3941702 0.89 RXFP1 (0.47) RXFP1TSHRHTTMAPK10
SCHEMBL3946277 0.89 RXFP1 (0.47) RXFP1TSHRHTTMAPK10
SCHEMBL4521555 0.88 RXFP1 (0.59) RXFP1TSHRLMNAHTTMEN1
SCHEMBL3944771 0.88 RXFP1 (0.46) RXFP1TSHRHTTMAPK10

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