SCHEMBL3717082

SCHEMBL3717082

O=[N+]([O-])c1cc(CCO)sc1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 12/20 0.76
USP47 Q96K76 3/20 0.63
IDO1 P14902 1/20 0.48
PADI4 Q9UM07 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE7A Q13946 4/20 0.40
PDE7B Q9NP56 3/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL3722833 0.88 USP7 (0.76) USP7USP47IDO1PADI4TSHR
SCHEMBL3716355 0.88 USP7 (0.79) USP7USP47IDO1PADI4TSHR
SCHEMBL3722954 0.85 USP7 (0.74) USP7USP47IDO1PADI4TSHR
SCHEMBL3712935 0.85 USP7 (0.74) USP7USP47IDO1PADI4TSHR
SCHEMBL3717157 0.83 USP7 (0.69) USP7USP47IDO1PADI4TSHR
SCHEMBL3712487 0.83 USP7 (0.78) USP7USP47IDO1PADI4TSHR
SCHEMBL3717383 0.82 USP7 (1.00) USP7USP47PADI4MAPTNPSR1
SCHEMBL2680950 0.79 USP7 (0.66) USP7USP47IDO1PADI4TSHR
SCHEMBL2680694 0.78 USP7 (0.80) USP7USP47IDO1PADI4TSHR
SCHEMBL2680726 0.77 USP7 (1.00) USP7USP47IDO1PADI4TSHR

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
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO claimed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO disclosed