SCHEMBL3672889

SCHEMBL3672889

Cc1cc2c(cc1[N+](=O)[O-])NC(=O)C(=O)[N]2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
MCL1 Q07820 1/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
CAPN9 O14815 1/20 0.33
CASP3 P42574 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL8128055 0.87 CYP3A4 (0.39) MAPTMEN1KMT2ATSHRHSD17B10
SCHEMBL8115079 0.82 ESPL1 (0.38) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL8128045 0.80 POLB (0.38) POLBHTT
SCHEMBL8555748 0.79 ALDH1A1 (0.40) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL8559761 0.79 AKR1B1 (0.40) TSHRALDH1A1CYP3A4LMNACAPN9
SCHEMBL8118374 0.79 ESPL1 (0.38) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL3678226 0.78 PTPN11 (0.44) MAPTCYP1A2CAPN9CASP3
SCHEMBL3675781 0.78 MAPT (0.48) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL2716661 0.78 TSHR (0.38) MAPTMEN1KMT2ATSHRHSD17B10
SCHEMBL8115975 0.76 ALDH3A1 (0.44) MAPTMEN1KMT2ATSHRALDH1A1

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-2150248-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE The Johns Hopkins University (US) 2010-02-10 EP disclosed
WO-2008088820-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2008-07-24 WO disclosed