SCHEMBL7255758

SCHEMBL7255758

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 2/20 0.50
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSP90AA1 P07900 1/20 0.39
AGTR1 P30556 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CNR1 P21554 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7254843 0.88 MAPT (0.51) SERPINH1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7255199 0.87 NPSR1 (0.49) SERPINH1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7254972 0.84 SERPINH1 (0.54) SERPINH1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7254970 0.77 ALDH1A1 (0.54) MAPTALDH1A1MAPK1NPSR1MEN1
SCHEMBL7255927 0.77 SERPINH1 (0.51) SERPINH1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7606379 0.76 SERPINH1 (0.53) SERPINH1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7255760 0.73 FFAR1 (0.37) SERPINH1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL7254978 0.72 SERPINH1 (0.49) SERPINH1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7255092 0.70 SERPINH1 (0.47) SERPINH1MAPTTDP1ALDH1A1MAPK1
SCHEMBL7255036 0.70 SERPINH1 (0.47) SERPINH1MAPTTDP1ALDH1A1MAPK1

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