SCHEMBL7314015

SCHEMBL7314015

O=[N+]([O-])c1[c]ccc(CCl)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL457530 0.81 KAT2B (0.36) ALDH1A1
SCHEMBL6206141 0.81 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL8507244 0.81 TSHR (0.30) TSHR
SCHEMBL9008022 0.81 CYP1A2 (0.30) TSHR
SCHEMBL9653209 0.79 ALOX5 (0.38) TSHRALDH1A1
SCHEMBL27357221 0.79 TDP1 (0.32) TSHR
SCHEMBL10746021 0.79 TAAR1 (0.35) TSHRALDH1A1
SCHEMBL11153835 0.77 MAPT (0.33) ALDH1A1
SCHEMBL27398680 0.77 FAAH (0.38) TSHRALDH1A1
SCHEMBL591107 0.77 PYCR1 (0.35) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed
EP-0094727-A2 Substituted heterocyclyl phenylformamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-11-23 EP disclosed