SCHEMBL3942597

SCHEMBL3942597

CCOC(=O)C1=C(CCc2ccccc2Cl)NC(=O)NC1c1ccc(C)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.60
TSHR P16473 3/20 0.60
MAPK1 P28482 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 3/20 0.56
HSD17B10 Q99714 1/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL3951160 0.95 MEN1 (0.64) TP53TSHRMAPK1MEN1KMT2A
SCHEMBL3950394 0.83 MEN1 (0.56) TP53TSHRMEN1KMT2AMAPT
SCHEMBL3947142 0.82 MEN1 (0.53) TP53TSHRMEN1KMT2ATHRB
SCHEMBL3943138 0.81 RXFP1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL13942605 0.81 TSHR (0.52) TP53TSHRMEN1KMT2AMAPT
SCHEMBL13942611 0.79 MEN1 (0.51) TP53TSHRMEN1KMT2AMAPT
SCHEMBL10113258 0.78 TSHR (0.75) TP53TSHRMAPK1MEN1KMT2A
SCHEMBL19752712 0.77 MEN1 (0.67) TP53MEN1KMT2AMAPTTHRB
SCHEMBL19752713 0.77 MEN1 (0.67) TP53MEN1KMT2AMAPTTHRB
SCHEMBL3944408 0.76 TSHR (0.49) TP53TSHRMAPK1GAAHTT

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

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