SCHEMBL5697787

SCHEMBL5697787

CC(O)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPK1 P28482 4/20 0.49
GPR35 Q9HC97 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 4/20 0.46
HTT P42858 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
HIF1A Q16665 1/20 0.45
HCAR3 P49019 1/20 0.44
CYP19A1 P11511 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL5518041 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL5518040 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL7808225 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL5697784 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL3306450 0.77 TDP1 (0.52) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL29702809 0.77 TDP1 (0.56) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL2675557 0.77 TDP1 (0.56) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL23908280 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL23908278 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1GPR35SMN1; SMN2TP53
SCHEMBL17967396 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1GPR35SMN1; SMN2TP53

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-0861855-B1 LIGHT-ABSORBING POLYMER, METHOD FOR SYNTHESIZING THE SAME, AND FILM-FORMING COMPOSITION AND ANTIREFLECTION FILM PREPARED USING SAID POLYMER AZ ELECTRONIC MATERIALS USA (US) 2006-06-21 EP disclosed
US-6184305-B1 FOR ANTIREFLECTIVE COATING BEING USEFUL UPON MANUFACTURING INTEGRATED CIRCUIT ELEMENTS BY PHOTO-LITHOGRAPHY; PHOTORESISTS; RESOLUTION CLARIANT FINANCE (BVI) LIMITED (VG) 2001-02-06 US disclosed
EP-0861855-A1 LIGHT-ABSORBING POLYMER, METHOD FOR SYNTHESIZING THE SAME, AND FILM-FORMING COMPOSITION AND ANTIREFLECTION FILM PREPARED USING SAID POLYMER CLARIANT INTERNATIONAL LTD. (CH) 1998-09-02 EP disclosed