SCHEMBL7486971

SCHEMBL7486971

CC(C)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(O)c1.O=C(NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.50
KCNJ6 P48051 1/20 0.47
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
NTRK1 P04629 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
GRIK1 P39086 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
P2RY1 P47900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7545209 0.82 KDR (0.59) KDRMAPTLMNANTRK1CDK19
SCHEMBL5594890 0.82 KDR (0.59) KDRMAPTLMNANTRK1CDK19
SCHEMBL5594672 0.80 KDR (0.69) KDRMAPTNTRK1CDK19MEN1
SCHEMBL23447441 0.76 MAPT (0.71) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7491660 0.76 CHRNA7 (0.54) KDRMAPTLMNASMN1; SMN2MEN1
SCHEMBL7493381 0.75 KDR (0.62) KDRMAPTNTRK1CDK19MEN1
SCHEMBL5604191 0.74 CXCR1 (0.58) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5594895 0.74 CHRNA7 (0.61) KDRMAPTLMNASMN1; SMN2MEN1
SCHEMBL5595253 0.74 CHRNA7 (0.61) KDRMAPTLMNASMN1; SMN2MEN1
SCHEMBL1463419 0.71 NTRK1 (0.81) KDRMAPTNTRK1CDK19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed