SCHEMBL7804313

SCHEMBL7804313

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(Nc3c(O)c(=O)c3=O)c(OC)c(OC)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.38
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 2/20 0.32
FLT3 P36888 1/20 0.32
LMNA P02545 1/20 0.32
APP P05067 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDPK1 O15530 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7795386 0.94 CXCR2 (0.39) CXCR2GAAMEN1MAPTKMT2A
SCHEMBL7795456 0.90 CXCR2 (0.35) CXCR2GAATHRATHRBADRB3
Hydrochloric Acid SCHEMBL7801938 0.88 CXCR2 (0.35) CXCR2GAAMAPTKMT2ATHRA
SCHEMBL7785125 0.87 CXCR2 (0.32) CXCR2
SCHEMBL7801234 0.81 THRA (0.36) CXCR2GAAMEN1MAPTKMT2A
SCHEMBL7780576 0.81 KMT2A (0.40) CXCR2GAAMEN1KMT2ATHRA
SCHEMBL7795354 0.81 KMT2A (0.40) CXCR2GAAMEN1KMT2ATHRA
SCHEMBL7802013 0.81 KMT2A (0.40) CXCR2GAAMEN1KMT2ATHRA
SCHEMBL7780384 0.81 CXCR2 (0.33) CXCR2
Hydrochloric Acid SCHEMBL7801297 0.80 KMT2A (0.40) CXCR2GAAMEN1KMT2ATHRA

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed