SCHEMBL11025367

SCHEMBL11025367

Cc1cc([N+](=O)[O-])c(OCCO)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.42
MAPT P10636 6/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
S1PR4 O95977 1/20 0.39

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 0.88 PRSS1 (0.46) PRSS1MAPTALDH1A1LMNANPC1
SCHEMBL11596705 0.86 PRSS1 (0.44) PRSS1MAPTKDM4EGAAALDH1A1
SCHEMBL11025452 0.82 ALDH1A1 (0.41) PRSS1MAPTKDM4EGAAALDH1A1
SCHEMBL10884859 0.81 TSHR (0.48) PRSS1MAPTKDM4EGAAALDH1A1
SCHEMBL9024000 0.81 KDM4E (0.41) PRSS1MAPTKDM4EGAAALDH1A1
SCHEMBL11597174 0.79 GAA (0.41) PRSS1MAPTKDM4EGAAALDH1A1
SCHEMBL29785411 0.78 HTT (0.50) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL517401 0.78 HTT (0.50) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL3342982 0.77 TSHR (0.43) PRSS1MAPTKDM4EGAAALDH1A1
SCHEMBL10887600 0.77 CHEK1 (0.50) PRSS1MAPTKDM4EALDH1A1LMNA

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
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed