SCHEMBL5777432

SCHEMBL5777432

O=C(O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.47
CD74 P04233 2/20 0.47
KCNK3 O14649 4/20 0.45
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2975019 0.91 CTSS (0.57) CTSSCD74KCNK3ALDH1A1MEN1
SCHEMBL2976007 0.87 CTSS (0.56) CTSSCD74
SCHEMBL7099784 0.84 CTSS (0.47) CTSSCD74KCNK3
SCHEMBL2976436 0.81 CTSS (0.58) CTSSCD74KCNK3
SCHEMBL5254514 0.79 CTSS (0.53) CTSSCD74
SCHEMBL2969272 0.79 KCNK3 (0.59) CTSSCD74KCNK3
SCHEMBL2983724 0.78 CTSS (0.47) CTSSCD74KCNK3
SCHEMBL2971508 0.78 CTSS (0.60) CTSSCD74KCNK3
SCHEMBL2972624 0.77 CTSS (0.55) CTSSCD74KCNK3
SCHEMBL2978007 0.77 CTSS (0.63) CTSSCD74

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-1315491-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2006-08-09 EP disclosed