SCHEMBL7255012

SCHEMBL7255012

Cc1ccc(C(C[N+](=O)[O-])SCC[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
ALDH1A1 P00352 9/20 0.56
MAPK1 P28482 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
HSP90AA1 P07900 2/20 0.56
AGTR1 P30556 1/20 0.56
ATM Q13315 1/20 0.56
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SERPINH1 P50454 2/20 0.40
GAA P10253 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 5/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HTT P42858 3/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL7258556 0.84 SERPINH1 (0.56) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL7258520 0.84 MAPT (0.54) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL7254885 0.84 SERPINH1 (0.59) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL7254911 0.79 ALDH1A1 (0.53) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL7607272 0.79 MAPT (0.62) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL7254895 0.76 ALDH1A1 (0.50) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL7255037 0.74 ALDH1A1 (0.48) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL7254788 0.74 ALDH1A1 (0.60) MAPTALDH1A1MAPK1NPSR1HPGD
SCHEMBL7255056 0.72 ALDH1A1 (0.52) MAPTALDH1A1MAPK1NPSR1TDP1
SCHEMBL396186 0.71 SLC6A4 (0.54) MAPTALDH1A1MAPK1NPSR1TDP1

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-2003029188-A2 BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO claimed
WO-2003029188-A2 BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed