SCHEMBL8059533

SCHEMBL8059533

C=CCc1cc[c]c(C)c1/C=N\O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
HPGD P15428 3/20 0.34
GFER P55789 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.31
ALOX15 P16050 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
MAP4K4 O95819 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PIM1 P11309 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL8059528 0.78 HPGD (0.33) MEN1KMT2AHPGDGFERHTT
SCHEMBL7928568 0.74 GABRA1 (0.33) MEN1KMT2AGABRA1GABRB2TSHR
SCHEMBL5454296 0.74 GABRA1 (0.41) MEN1KMT2AGABRA1GABRB2TSHR
SCHEMBL6806734 0.72 GABRA1 (0.49) MEN1KMT2AGABRA1GABRB2HPGD
SCHEMBL5454241 0.71 GABRA1 (0.43) MEN1KMT2AGABRA1GABRB2HPGD
SCHEMBL5227993 0.71 GABRA1 (0.43) MEN1KMT2AGABRA1GABRB2HPGD
SCHEMBL8064366 0.68 XDH (0.41) MEN1KMT2AGABRA1GABRB2HPGD
SCHEMBL8559991 0.66 HPGD (0.53) MEN1KMT2AGABRA1GABRB2HPGD
SCHEMBL11087194 0.66 HPGD (0.53) MEN1KMT2AGABRA1GABRB2HPGD
SCHEMBL4371459 0.66 THRB (0.33) MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015412-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
EP-1015420-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
WO-1999012892-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
WO-1999012885-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed