SCHEMBL28050836

SCHEMBL28050836

CC(=O)Oc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPBWR1 P48145 7/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
USP2 O75604 1/20 0.56
KCNJ1 P48048 2/20 0.54
MAPT P10636 8/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
HTT P42858 4/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
CASP3 P42574 1/20 0.53
MMP13 P45452 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL28003574 0.77 MEN1 (0.64) ALDH1A1TDP1NPBWR1MEN1KMT2A
SCHEMBL28581585 0.77 HDAC6 (0.52) NPBWR1GAA
SCHEMBL4328218 0.76 ALDH1A1 (0.69) ALDH1A1TDP1NPBWR1MEN1KMT2A
SCHEMBL28544503 0.76 HSP90AA1 (0.61) ALDH1A1TDP1SMN1; SMN2POLBRAB9A
SCHEMBL6324070 0.76 ALDH1A1 (0.56) ALDH1A1TDP1NPBWR1MEN1KMT2A
SCHEMBL19329479 0.76 RIPK1 (0.63) ALDH1A1TDP1NPBWR1MEN1KMT2A
SCHEMBL27447055 0.76 ALDH1A1 (0.63) ALDH1A1TDP1NPBWR1MEN1KMT2A
SCHEMBL2711230 0.75 ALDH1A1 (0.67) ALDH1A1TDP1NPBWR1MEN1KMT2A
SCHEMBL1541190 0.75 ALDH1A1 (0.67) ALDH1A1TDP1NPBWR1MEN1KMT2A
SCHEMBL833509 0.75 ALDH1A1 (1.00) ALDH1A1TDP1NPBWR1MEN1KMT2A

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
CN-105425530-A Method for reducing emulsion fog by 6-nitrobenzimidazole TIANJIN MEDIA IMAGING MAT CO LTD 2016-03-23 CN disclosed