SCHEMBL7802163

SCHEMBL7802163

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2ccccc2Nc2c(O)c(=O)c2=O)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.39
LPAR1 Q92633 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRB3 P13945 1/20 0.33
C5AR1 P21730 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL7785017 0.85 MEN1 (0.39) CXCR2LPAR1MEN1KMT2AGAA
SCHEMBL7805393 0.82 CXCR2 (0.40) CXCR2MEN1KMT2A
SCHEMBL7795412 0.82 CXCR2 (0.40) CXCR2MEN1KMT2A
Hydrochloric Acid SCHEMBL7803652 0.82 CXCR2 (0.39) CXCR2MEN1KMT2A
Hydrochloric Acid SCHEMBL7795371 0.81 CXCR2 (0.39) CXCR2MAPTHTTSMN1; SMN2LMNA
SCHEMBL7801488 0.80 ALDH1A1 (0.49) CXCR2KMT2AGAAKDM4ELMNA
SCHEMBL7801773 0.80 ALDH1A1 (0.49) CXCR2KMT2AGAAKDM4ELMNA
SCHEMBL7785410 0.80 GAA (0.37) CXCR2MEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL7805684 0.80 ALDH1A1 (0.48) CXCR2KMT2AGAAKDM4ELMNA
SCHEMBL7801234 0.80 THRA (0.36) CXCR2MEN1KMT2AGAAMAPT

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