SCHEMBL7258556

SCHEMBL7258556

O=[N+]([O-])CCSC(C[N+](=O)[O-])c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 2/20 0.56
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSP90AA1 P07900 1/20 0.40
AGTR1 P30556 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CNR1 P21554 6/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7255012 0.84 MAPT (0.56) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7258520 0.84 MAPT (0.54) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7254885 0.81 SERPINH1 (0.59) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7606379 0.79 SERPINH1 (0.53) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7254978 0.75 SERPINH1 (0.49) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7254788 0.74 ALDH1A1 (0.60) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL7255092 0.73 SERPINH1 (0.47) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL396186 0.71 SLC6A4 (0.54) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7255927 0.71 SERPINH1 (0.51) SERPINH1MAPTALDH1A1MAPK1NPSR1
SCHEMBL7255758 0.70 SERPINH1 (0.50) SERPINH1MAPTALDH1A1MAPK1NPSR1

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