SCHEMBL3715170

SCHEMBL3715170

O=CCc1cc([N+](=O)[O-])c(Oc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE7A Q13946 1/20 0.40
USP7 Q93009 1/20 0.40
ENPP2 Q13822 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TTR P02766 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3712718 0.77 KIF18A (0.41) S1PR4TSHRMAPK1USP7LMNA
SCHEMBL3713750 0.76 TSHR (0.42) TSHRMAPK1TDP1USP7MAPT
SCHEMBL3717157 0.76 USP7 (0.69) TSHRMAPK1TDP1PDE7AUSP7
SCHEMBL3716337 0.75 TSHR (0.41) S1PR4TSHRMAPK1PDE7AUSP7
SCHEMBL2681761 0.73 USP7 (0.60) S1PR4TSHRMAPK1TDP1USP7
SCHEMBL3654191 0.73 PDE7A (0.63) S1PR4TSHRMAPK1TDP1PDE7A
SCHEMBL3714951 0.73 VCAM1 (0.38) TSHRMAPK1TDP1USP7LMNA
SCHEMBL4965836 0.72 MAPK1 (0.62) S1PR4TSHRMAPK1TDP1PDE7A
SCHEMBL2680991 0.72 TDP1 (0.63) S1PR4TSHRMAPK1TDP1USP7
SCHEMBL6251002 0.71 TTR (0.62) S1PR4TSHRMAPK1TDP1PDE7A

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