SCHEMBL11568652

SCHEMBL11568652

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[LiH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CYP3A4 P08684 3/20 0.64
PDE2A O00408 1/20 0.64
PDE5A O76074 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
APEX1 P27695 1/20 0.64
PDE4A P27815 1/20 0.64
BLM P54132 1/20 0.64
PDE1B Q01064 1/20 0.64
PMP22 Q01453 1/20 0.64
PDE4B Q07343 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE7A Q13946 1/20 0.64
PDE1C Q14123 1/20 0.64
PDE7B Q9NP56 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 2/20 0.52

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
SCHEMBL709336 0.98 ALDH1A1 (0.66) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL30165662 0.98 ALDH1A1 (0.66) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL9477929 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
Ammonia Solution, Strong SCHEMBL11656587 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
Water SCHEMBL2833444 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL9477915 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
Water SCHEMBL13857776 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL9477900 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
Ammonia Solution, Strong SCHEMBL11656592 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL27633972 0.97 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15

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
US-4147545-A FOR DIAZO-SENSITIZED PHOTOSENSITIVE COATINGS POLYCHROME CORPORATION (US) 1979-04-03 US disclosed