SCHEMBL6691391

SCHEMBL6691391

CC(O)Cc1cc(-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 5/20 0.40
ABCC1 P33527 3/20 0.40
KCNMA1 Q12791 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FBP1 P09467 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
SCHEMBL2950974 0.82 CRHBP (0.50) APPCRHBPCRHR2MEN1MAPT
SCHEMBL9459074 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL9459079 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL6359410 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL28192853 0.79 ALOX15 (0.51) ALOX15ALOX12MAPTFBP1
SCHEMBL25410988 0.75 CRHBP (0.47) CRHBPCRHR2MEN1MAPTKMT2A
SCHEMBL6689802 0.75 CRHBP (0.47) APPCRHBPCRHR2MEN1MAPT
SCHEMBL31435486 0.75 CYP2C19 (0.48) APPCRHBPCRHR2MEN1LMNA
SCHEMBL25412105 0.75 CYP2C19 (0.48) APPCRHBPCRHR2MEN1LMNA
SCHEMBL2945535 0.74 CRHBP (0.46) APPCRHBPCRHR2MEN1LMNA

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-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 WO disclosed