SCHEMBL9385181

SCHEMBL9385181

COc1cc(OC)nc(SC(C(=O)N(N)C(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EDNRB P24530 3/20 0.33
EDNRA P25101 3/20 0.33
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 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
SCHEMBL9386424 0.89 EDNRB (0.38) MAPTALDH1A1EDNRBEDNRAKDM4E
SCHEMBL9388381 0.79 ALDH1A1 (0.34) ALDH1A1EDNRBEDNRAKDM4E
SCHEMBL9386258 0.77 ALDH1A1 (0.36) ALDH1A1LMNAEDNRBEDNRASMN1; SMN2
SCHEMBL9384261 0.77 ALDH1A1 (0.38) MAPTALDH1A1LMNAEDNRBEDNRA
SCHEMBL9389557 0.77 ADORA3 (0.37) ALDH1A1EDNRBEDNRA
SCHEMBL9388730 0.74 EDNRB (0.41) ALDH1A1EDNRBEDNRA
SCHEMBL9389519 0.73 PTGES (0.40) EDNRBEDNRA
SCHEMBL9384636 0.73 ALDH1A1 (0.36) ALDH1A1EDNRBEDNRA
SCHEMBL9384712 0.72 EDNRB (0.41) ALDH1A1EDNRBEDNRA
SCHEMBL9385433 0.72 EDNRB (0.36) MAPTEDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588194-A2 Hydrazones and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-23 EP disclosed