SCHEMBL9745903

SCHEMBL9745903

CCc1ccc(C=CC(=O)Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TTR P02766 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
BACE1 P56817 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SNCA P37840 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6908269 0.86 KMT2A (0.63) RAB9AKMT2AMEN1TTRPOLB
SCHEMBL6908272 0.86 KMT2A (0.63) RAB9AKMT2AMEN1TTRPOLB
SCHEMBL27790551 0.81 MAPT (0.56) RAB9AKMT2AMEN1MAPTBACE1
SCHEMBL19543189 0.80 MAPT (0.59) RAB9AKMT2AMEN1TTRPOLB
SCHEMBL3794210 0.80 MEN1 (0.56) RAB9AKMT2AMEN1TTRPOLB
SCHEMBL9744534 0.79 MAOB (0.57) RAB9AKMT2AMEN1POLBMAPT
SCHEMBL28003594 0.78 EPHX2 (0.60) RAB9AKMT2AMEN1POLBMAPT
SCHEMBL11973532 0.77 RAB9A (0.53) RAB9AKMT2AMEN1TTRPOLB
SCHEMBL648890 0.77 KMT2A (0.60) RAB9AKMT2AMEN1POLBMAPT
SCHEMBL11973525 0.77 RAB9A (0.53) RAB9AKMT2AMEN1TTRPOLB

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-5164515-A Chemical compounds WENDSTONE CHEMICALS PLC (GB) 1992-11-17 US disclosed
EP-0239354-A2 2,2-Dinitrophenylethane derivatives and their application as protecting compounds Wendstone Chemicals P.L.C. (GB) 1987-09-30 EP disclosed