SCHEMBL7746689

SCHEMBL7746689

CCCCCCCCCCCCSc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.47
PDE7B Q9NP56 2/20 0.46
USP7 Q93009 1/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
GSR P00390 1/20 0.42
TXNRD1 Q16881 1/20 0.42
GSTP1 P09211 3/20 0.41
GSTM2 P28161 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VCAM1 P19320 1/20 0.40

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
SCHEMBL2777612 0.84 PDE7A (0.55) PDE7APDE7BMAPK1TSHRLMNA
SCHEMBL9453031 0.80 PTGS2 (0.50) PDE7ALMNAKMT2AGSTP1GSTM2
SCHEMBL10888237 0.80 ALDH1A1 (0.58) PDE7APDE7BMAPK1TSHRLMNA
SCHEMBL1347642 0.78 PTGS2 (0.49) PDE7ALMNAKMT2AGSTP1GSTM2
SCHEMBL11408692 0.77 TSHR (0.47) PDE7AMAPK1TSHRLMNAKMT2A
SCHEMBL10523455 0.76 PDE7A (0.54) PDE7APDE7BMAPK1TSHRLMNA
SCHEMBL11571002 0.76 MAPT (0.60) LMNAKMT2ATXNRD1GSTP1GSTM2
SCHEMBL9665036 0.76 MAPT (0.60) LMNAKMT2ATXNRD1GSTP1GSTM2
SCHEMBL3290188 0.76 MAPT (0.60) LMNAKMT2ATXNRD1GSTP1GSTM2
SCHEMBL9513417 0.75 KMT2A (0.49) PDE7AUSP7MAPK1TSHRLMNA

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-6316605-B1 FOR USE IN RECORDING MATERIALS FOR THERMAL TRANSFER RECORDING, INK JET RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2001-11-13 US disclosed