SCHEMBL7066582

SCHEMBL7066582

COc1ccc([N+](=O)[O-])c2nnoc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
IDO1 P14902 1/20 0.39
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 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
SCHEMBL2310322 0.76 TDP1 (0.41) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL2333611 0.76 TDP1 (0.41) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL1100536 0.76 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2AIDO1
SCHEMBL5283734 0.73 S1PR1 (0.41) LMNAALDH1A1TDP1L3MBTL1NPC1
SCHEMBL3500091 0.73 MEN1 (0.60) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL5457508 0.73 NPC1 (0.50) ALDH1A1MEN1KMT2AIDO1NPC1
SCHEMBL1099537 0.72 MAPT (0.50) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5708849 0.70 ALDH1A1 (0.47) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL2313725 0.70 TDP1 (0.46) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL5708784 0.70 TXNRD1 (0.50) LMNAALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317242-A1 USE OF 4-NITRO-2,1,3-BENZOXADIAZOL DERIVATIVES AS DYES IN COLOURING AGENTS FOR KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-06-11 EP disclosed
WO-2002022094-A1 USE OF 4-NITRO-2,1,3-BENZOXADIAZOL DERIVATIVES AS DYES IN COLOURING AGENTS FOR KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 WO disclosed