SCHEMBL7944964

SCHEMBL7944964

O=[N+]([O-])C(c1ccccc1)c1cccccccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSR P00390 1/20 0.34
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33
ADAM17 P78536 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL15055313 0.96 CNR1 (0.40) CNR1MAPTKMT2ANPSR1LMNA
SCHEMBL10567133 0.78 LMNA (0.46) MAPTKMT2ANPSR1LMNAMEN1
Bicarbonate SCHEMBL27706335 0.72 CES2 (0.46) LMNATDP1GSRALDH1A1CES2
SCHEMBL3271045 0.72 SLC6A3 (0.54) CNR1MAPTKMT2ALMNAMEN1
SCHEMBL28734597 0.70 MAPT (0.53) CNR1MAPTALDH1A1OPRM1OPRD1
SCHEMBL10653829 0.68 ACHE (0.43) CNR1MAPTKMT2ANPSR1LMNA
SCHEMBL11655685 0.68 ALOX5 (0.42) CNR1MAPTKMT2ANPSR1LMNA
SCHEMBL11440190 0.68 GSR (0.37) MAPTKMT2ANPSR1LMNAMEN1
SCHEMBL5053923 0.68 IDO1 (0.44) CNR1MAPTKMT2ALMNAMEN1
SCHEMBL31065464 0.66 MAPT (0.57) CNR1MAPTLMNAOPRM1OPRD1

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-6242428-B1 NUCLEOSIDES AND NUCLEOSIDE DIMERS CONTAINING AN L-SUGAR IN AT LEAST ONE OF THE NUCLEOSIDES UNISEARCH LIMITED (AU) 2001-06-05 US claimed