SCHEMBL3716337

SCHEMBL3716337

O=CCc1cc([N+](=O)[O-])c([S+]([O-])c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
USP7 Q93009 5/20 0.40
USP47 Q96K76 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
S1PR4 O95977 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL3717157 0.75 USP7 (0.69) TSHRMAPK1USP7USP47MAPT
SCHEMBL2681764 0.75 USP7 (0.60) TSHRMAPK1USP7USP47NPC1
SCHEMBL3715170 0.75 S1PR4 (0.45) TSHRMAPK1USP7NPC1MAPT
SCHEMBL3713750 0.73 TSHR (0.42) TSHRMAPK1USP7NPC1RAB9A
SCHEMBL3712718 0.72 KIF18A (0.41) TSHRMAPK1USP7USP47L3MBTL1
SCHEMBL3715750 0.71 USP7 (0.57) USP7USP47L3MBTL1SMN1; SMN2POLB
SCHEMBL3714951 0.71 VCAM1 (0.38) TSHRMAPK1USP7L3MBTL1MAPT
SCHEMBL3719652 0.68 USP7 (0.60) USP7USP47RAB9AMAPTALDH1A1
SCHEMBL3712957 0.68 USP7 (0.58) USP7USP47PADI4
SCHEMBL3712491 0.67 USP7 (0.56) USP7USP47IDO1PDE7APDE7B

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