SCHEMBL9518604

SCHEMBL9518604

COCc1ccc(OC)c(C(O)c2c[nH]cn2)c1OC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
FGB P02675 1/20 0.31
ALOX15 P16050 1/20 0.31
TNNI3 P19429 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 1/20 0.31
TNNT2 P45379 1/20 0.31
CASP7 P55210 1/20 0.31
TNNC1 P63316 1/20 0.31
KMT2A Q03164 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL10540274 0.78 MEN1 (0.31) MEN1FGBALOX15TNNI3MAPK1
SCHEMBL9519741 0.72 CYP1A2 (0.30)
Hydrochloric Acid SCHEMBL10539038 0.71 APOBEC3A (0.32)
SCHEMBL11051393 0.69 SMN1; SMN2 (0.45) KMT2A
SCHEMBL7098179 0.67 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL7159601 0.67 ACHE (0.38) MEN1ALOX15KMT2A
SCHEMBL6212313 0.65 AOC3 (0.53) MEN1KMT2A
SCHEMBL5689270 0.64 CTSA (0.44)
SCHEMBL7228596 0.64 ACHE (0.38) KMT2A
SCHEMBL7161306 0.64 ACHE (0.38) MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed