SCHEMBL7715515

SCHEMBL7715515

CCOC(=O)C(Cc1ccc(Nc2nc(C(F)(F)F)cc3ccccc23)cc1)Nc1c(N2C(C)CCC2C)c(=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL7715511 1.00 ELANE (0.37) ELANEMAPTNPSR1MEN1KMT2A
SCHEMBL7716158 0.90 ELANE (0.40) ELANEMAPTNPSR1MEN1KMT2A
SCHEMBL7716153 0.90 ELANE (0.40) ELANEMAPTNPSR1MEN1KMT2A
SCHEMBL7718447 0.82 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7718452 0.82 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7718454 0.82 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7718446 0.82 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7716472 0.81 ELANE (0.36) ELANEMAPTGAAKDM4EALDH1A1
SCHEMBL7716475 0.81 ELANE (0.36) ELANEMAPTGAAKDM4EALDH1A1
SCHEMBL7715506 0.80 ITGB1 (0.41) ITGB1ITGA4

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
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed