SCHEMBL3716037

SCHEMBL3716037

O=CCc1cc([N+](=O)[O-])c(Sc2c(F)c(F)cc(F)c2F)s1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 7/20 0.37
USP47 Q96K76 4/20 0.36
USP10 Q14694 1/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PADI4 Q9UM07 1/20 0.30

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
SCHEMBL3716051 0.88 USP7 (0.42) USP7USP47USP10PADI4
SCHEMBL3715157 0.79 USP7 (0.60) USP7USP47USP10KDM4EALDH1A1
SCHEMBL3712957 0.79 USP7 (0.58) USP7USP47PADI4
SCHEMBL3716279 0.78 USP7 (0.59) USP7USP47
SCHEMBL3720903 0.75 USP7 (0.43) USP7USP47KDM4EALDH1A1MAPT
SCHEMBL3712491 0.75 USP7 (0.56) USP7USP47PADI4
SCHEMBL3717382 0.75 MGAM (0.36) USP7USP47USP10KDM4EALDH1A1
SCHEMBL3719648 0.74 USP7 (0.43) USP7USP47KDM4EALDH1A1GLA
SCHEMBL27154247 0.74 PDE7A (0.44) USP7USP47KDM4EALDH1A1GLA
SCHEMBL3715750 0.74 USP7 (0.57) USP7USP47TDP1PADI4

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