SCHEMBL11069871

SCHEMBL11069871

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
MITF O75030 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
CCR6 P51684 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
HPSE Q9Y251 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ALOX5 P09917 1/20 0.48
CES2 O00748 1/20 0.46
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
THRB P10828 1/20 0.45
CTSV O60911 1/20 0.45

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
SCHEMBL11069873 1.00 LMNA (0.61) LMNAALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL9762576 0.86 MEN1 (0.58) LMNAALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL3382057 0.81 TSHR (0.55) ALDH1A1MAPTMEN1KMT2APOLB
Trinitrophenol SCHEMBL31588613 0.80 CRHBP (0.57) LMNAALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL11512855 0.79 MAPT (0.53) LMNAALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL591201 0.79 TPMT (0.55) LMNAALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL591202 0.79 TPMT (0.55) LMNAALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL11542097 0.79 HPSE (0.56) LMNAMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL27531991 0.79 CA1 (0.49) LMNAALDH1A1MAPTMITFSMN1; SMN2
SCHEMBL10901927 0.78 MEN1 (0.68) LMNAALDH1A1MAPTMITFSMN1; SMN2

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
US-4439278-A DINITRO-HYDROXYBENZOIC ACIDS OR ESTERS AS POLYMERIZATION INHIBITORS EASTMAN KODAK COMPANY (US) 1984-03-27 US claimed
US-4439278-A DINITRO-HYDROXYBENZOIC ACIDS OR ESTERS AS POLYMERIZATION INHIBITORS EASTMAN KODAK COMPANY (US) 1984-03-27 US disclosed