SCHEMBL3478112

SCHEMBL3478112

Cc1c(C(=O)O)ccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
PKM P14618 2/20 0.45
HNF4A P41235 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
DTYMK P23919 1/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8671212 1.00 TSHR (0.59) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2381586 0.90 TSHR (0.54) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3107602 0.90 TSHR (0.50) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL4964088 0.89 TDP1 (0.57) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28965304 0.89 TSHR (0.62) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL9556010 0.89 TDP1 (0.57) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2057084 0.89 TSHR (0.53) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2057086 0.89 TSHR (0.53) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL29561089 0.88 TSHR (0.51) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL1355836 0.88 TSHR (0.51) TSHRALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed
EP-1549618-A1 PYRAZOLONE COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2005-07-06 EP disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2004033433-A1 PYRAZOLONE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 WO disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed
US-5773512-A Compounds and methods SMITHKLINE BEECHAM CORP. (US) 1998-06-30 US disclosed
US-4244989-A USING AN ABRASIVE COATED WITH A BINDER AND A CORROSION-RESISTANT SALT AKZO N.V. (NL) 1981-01-13 US disclosed
US-4098928-A METHOD OF COATING UNDERWATER METAL SURFACES AKZO N.V. (NL) 1978-07-04 US disclosed