SCHEMBL7522376

SCHEMBL7522376

CC(C)(C)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.56
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
GPR35 Q9HC97 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S100A4 P26447 3/20 0.38
PTPRC P08575 1/20 0.38
HPRT1 P00492 1/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL29435119 0.85 HKDC1 (0.65) HKDC1ALDH1A1KDM4EMAPTGPR35
SCHEMBL74588 0.85 HKDC1 (0.65) HKDC1ALDH1A1KDM4EMAPTGPR35
SCHEMBL359704 0.84 HKDC1 (0.49) HKDC1ALDH1A1KDM4EMAPTGPR35
SCHEMBL12396393 0.80 HKDC1 (0.59) HKDC1ALDH1A1KDM4EMAPTGPR35
SCHEMBL6570302 0.78 HKDC1 (0.46) HKDC1ALDH1A1KDM4EMAPTGPR35
SCHEMBL6541857 0.76 HKDC1 (0.56) HKDC1ALDH1A1KDM4EMAPTGPR35
SCHEMBL3207925 0.76 HKDC1 (0.55) HKDC1ALDH1A1KDM4EMAPTGPR35
SCHEMBL11518981 0.75 S100A4 (0.61) HKDC1ALDH1A1MAPTGPR35SMN1; SMN2
SCHEMBL6378793 0.75 S100A4 (0.69) HKDC1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL715432 0.74 HKDC1 (0.53) HKDC1ALDH1A1KDM4EMAPTGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1172700-A2 Photoconductive imaging members Xerox Corporation (US) 2002-01-16 EP claimed
US-6194110-B1 Imaging members XEROX CORPORATION 2001-02-27 US claimed
EP-1172700-A2 Photoconductive imaging members Xerox Corporation (US) 2002-01-16 EP disclosed
US-6322941-B1 PHOTOGENERATING LAYER COMPRISED OF A MIXTURE OF 1,3-BIS (N-PENTYLIMIDOPERYLENEIMIDO) PROPANE, 1,3-BIS(2-METHYL BUTYLIMIDO PERYLENEIMIDO)PROPANE, AND 1-(N-PENTYLIMIDO PERYLENEIMIDO)-3-(2-METHYLBUTYLIMIDOPERYLENEIMIDO)-PROPANE XEROX CORPORATION 2001-11-27 US disclosed
US-6194110-B1 Imaging members XEROX CORPORATION 2001-02-27 US disclosed