SCHEMBL11596705

SCHEMBL11596705

Nc1cc(OCCO)c([N+](=O)[O-])cc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RECQL P46063 2/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 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
SCHEMBL12047595 0.92 PRSS1 (0.46) PRSS1TDP1TSHRNPC1RAB9A
SCHEMBL11027291 0.86 ALDH1A1 (0.54) PRSS1TDP1TSHRNPC1RAB9A
SCHEMBL11025452 0.86 ALDH1A1 (0.41) PRSS1TDP1TSHRNPC1RAB9A
SCHEMBL11025367 0.86 PRSS1 (0.42) PRSS1TDP1TSHRNPC1RAB9A
SCHEMBL10884859 0.84 TSHR (0.48) PRSS1TDP1TSHRNPC1RAB9A
SCHEMBL11597174 0.83 GAA (0.41) PRSS1TDP1TSHRNPC1RAB9A
SCHEMBL10940683 0.83 MAPT (0.52) PRSS1NPC1RAB9ARECQLMAPT
SCHEMBL11596026 0.83 ALDH1A1 (0.48) PRSS1TDP1NPC1RAB9ARECQL
SCHEMBL11548553 0.81 ALDH1A1 (0.51) TDP1NPC1RAB9ARECQLMAPT
SCHEMBL13753698 0.80 PRSS1 (0.42) PRSS1NPC1RAB9ARECQLMAPT

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
US-7481522-B2 Compositions and inks containing disazo dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-01-27 US disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed