SCHEMBL7255203

SCHEMBL7255203

COc1ccc(C(C[N+](=O)[O-])SCC(=O)N(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.53
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
HSP90AA1 P07900 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
NTSR1 P30989 1/20 0.40
GAA P10253 4/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
CASP3 P42574 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
SCHEMBL7254769 0.88 SERPINH1 (0.51) SERPINH1ALDH1A1MAPTHSP90AA1LMNA
SCHEMBL7607286 0.86 SERPINH1 (0.56) SERPINH1ALDH1A1MAPTHSP90AA1LMNA
SCHEMBL7254895 0.86 ALDH1A1 (0.50) SERPINH1ALDH1A1MAPTHSP90AA1LMNA
SCHEMBL7254978 0.85 SERPINH1 (0.49) SERPINH1ALDH1A1MAPTHSP90AA1LMNA
SCHEMBL7256110 0.84 NPSR1 (0.47) ALDH1A1MAPTHSP90AA1LMNAGAA
SCHEMBL11524389 0.79 SERPINH1 (0.54) SERPINH1ALDH1A1MAPTHSP90AA1LMNA
SCHEMBL7254885 0.78 SERPINH1 (0.59) SERPINH1ALDH1A1MAPTHSP90AA1LMNA
SCHEMBL7259598 0.75 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHPGDGAA
SCHEMBL7613647 0.75 SERPINH1 (0.56) SERPINH1ALDH1A1MAPTHSP90AA1LMNA
SCHEMBL7255205 0.75 GAA (0.37) SERPINH1GAAKMT2AAOC3

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