SCHEMBL6188426

SCHEMBL6188426

N[C@@H](CO)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
KMO O15229 1/20 0.49
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
EPHX1 P07099 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
F2 P00734 1/20 0.45

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
SCHEMBL6191530 1.00 TSHR (0.54) TSHRALDH1A1LMNAKMOGRM8
SCHEMBL30537970 1.00 TSHR (0.54) TSHRALDH1A1LMNAKMOGRM8
SCHEMBL16836911 1.00 TSHR (0.54) TSHRALDH1A1LMNAKMOGRM8
Hydrochloric Acid SCHEMBL6749409 0.98 TSHR (0.53) TSHRALDH1A1LMNAKMOGRM8
Hydrochloric Acid SCHEMBL29643165 0.98 TSHR (0.53) TSHRALDH1A1LMNAKMOGRM8
Hydrochloric Acid SCHEMBL6751569 0.98 TSHR (0.53) TSHRALDH1A1LMNAKMOGRM8
SCHEMBL30762196 0.86 TSHR (0.56) TSHRALDH1A1LMNAKMOGRM8
SCHEMBL8385351 0.84 TSHR (0.57) TSHRALDH1A1LMNAKMOGRM8
SCHEMBL27460769 0.84 KMO (0.52) TSHRALDH1A1KMOGRM8GRM6
SCHEMBL1205506 0.82 TSHR (0.59) TSHRALDH1A1LMNAGRM8GRM6

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
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO disclosed