SCHEMBL17048849

SCHEMBL17048849

O=[N+]([O-])C(CO)c1c(Cl)cc(I)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 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
SCHEMBL17048875 0.82 GPR35 (0.36) ALDH1A1TSHR
SCHEMBL17048826 0.80 HSP90AA1 (0.38) ALDH1A1TSHR
SCHEMBL17048896 0.79 USP7 (0.33) ALDH1A1
SCHEMBL17048823 0.78 HSD17B10 (0.32) ALDH1A1TSHR
SCHEMBL17048847 0.71 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL17048815 0.70 TDP1 (0.33)
SCHEMBL4851936 0.68 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL28679467 0.66 ALDH1A1 (0.67) ALDH1A1TSHR
SCHEMBL17048987 0.65 MEN1 (0.38) ALDH1A1
SCHEMBL22749806 0.64 GSR (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed