SCHEMBL257152

SCHEMBL257152

CC1N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP4 P49662 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
GFER P55789 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL14261906 0.81 SMN1; SMN2 (0.52) HSPA9L3MBTL1MAPTCASP1CASP3
Iodide SCHEMBL9323778 0.76 CYP1A2 (0.40) HSPA9L3MBTL1MAPTCASP1CASP3
SCHEMBL27910586 0.75 L3MBTL1 (0.36) HSPA9L3MBTL1MAPTCASP1CASP3
Bromide SCHEMBL11821570 0.74 GAA (0.42) HSPA9L3MBTL1MAPTCASP1CASP3
Iodide SCHEMBL9323937 0.72 ESPL1 (0.39) HSPA9L3MBTL1MAPTCASP1CASP3
SCHEMBL9066778 0.72 L3MBTL1 (0.46) L3MBTL1MAPTCASP1CASP3CASP4
SCHEMBL257553 0.71 ROCK1 (0.60) MAPTKDM4ESIRT6ALDH1A1GAA
SCHEMBL11790172 0.71 KMT2A (0.44) HSPA9L3MBTL1MAPTCASP1CASP3
SCHEMBL16024473 0.69 GNRHR (0.38) L3MBTL1MAPTGAASMN1; SMN2MEN1
SCHEMBL10623255 0.69 L3MBTL1 (0.43) HSPA9L3MBTL1MAPTCASP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012029763-A1 DIAMINE, POLYIMIDE PRECURSOR, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT MATERIAL, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-03-08 WO disclosed