SCHEMBL2373772

SCHEMBL2373772

NC(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
PLAU P00749 1/20 0.40
CTSD P07339 1/20 0.39
HPGD P15428 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
SCHEMBL48359 0.86 GPR35 (0.55) GPR35TSHRCYP1A2MAPTCYP2C9
SCHEMBL3206927 0.86 GPR35 (0.55) GPR35TSHRCYP1A2MAPTCYP2C9
SCHEMBL211181 0.86 ALDH1A1 (0.58) GPR35CYP1A2MAPTCYP2C9TDP1
SCHEMBL48361 0.85 GPR35 (0.53) GPR35TSHRCYP1A2MAPTCYP2C9
SCHEMBL48360 0.85 GPR35 (0.53) GPR35TSHRCYP1A2MAPTCYP2C9
SCHEMBL17005575 0.83 TSHR (0.51) GPR35TSHRMAPTTDP1ALDH1A1
SCHEMBL1421203 0.83 TDP1 (0.57) CYP1A2MAPTCYP2C9TDP1ALDH1A1
SCHEMBL1652615 0.83 GPR35 (0.51) GPR35TSHRCYP1A2MAPTCYP2C9
SCHEMBL1653791 0.83 GPR35 (0.47) GPR35TSHRCYP1A2MAPTCYP2C9
SCHEMBL25331485 0.82 TSHR (0.50) GPR35TSHRMAPTTDP1ALDH1A1

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-2021137611-A1 IMMUNE CELLS HAVING NANOSTRUCTURE ATTACHED THERETO (주)테라베스트 2021-07-08 WO disclosed
CN-111479806-A D-amino acid oxidase inhibitors and therapeutic uses thereof 心悦生医股份有限公司 2020-07-31 CN disclosed
EP-3676267-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2020-07-08 EP disclosed
WO-2019046775-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-07 WO disclosed
EP-2365962-A2 AMINOALCOHOL LIPIDOIDS AND USES THEREOF Massachusetts Institute of Technology (US) 2011-09-21 EP disclosed
WO-2010053572-A2 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-05-14 WO disclosed
EP-0830340-A1 FACE-TO-FACE/FACE-TO-EDGE INTERACTIVE CHIRAL SELECTORS AND RELATED APPARATUSES Research Corporation Technologies, Inc (US) 1998-03-25 EP disclosed
WO-1996039377-A1 FACE-TO-FACE/FACE-TO-EDGE INTERACTIVE CHIRAL SELECTORS AND RELATED APPARATUSES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-12-12 WO disclosed