SCHEMBL21028472

SCHEMBL21028472

c1ccc(-c2cccc(-c3ccc4c(c3)CC4)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.49
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
TDP2 O95551 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
ESR1 P03372 1/20 0.44
KDM1A O60341 2/20 0.43
KDM1B Q8NB78 1/20 0.43
MAOA P21397 1/20 0.43
TYRO3 Q06418 1/20 0.43
NTRK2 Q16620 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
KMO O15229 1/20 0.42
ALOX5 P09917 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6253369 0.95 HSD17B3 (0.51) HSD17B3CYP11B1CYP11B2TDP2MEN1
Ammonia Solution, Strong SCHEMBL4888955 0.93 HSD17B3 (0.50) HSD17B3CYP11B1CYP11B2TDP2MEN1
SCHEMBL20079881 0.93 CYP11B1 (0.52) HSD17B3CYP11B1CYP11B2TDP2MEN1
SCHEMBL27445644 0.86 CYP11B1 (0.56) HSD17B3CYP11B1CYP11B2TDP2MEN1
SCHEMBL9845507 0.86 CYP11B1 (0.61) HSD17B3CYP11B1CYP11B2TDP2MEN1
SCHEMBL30125264 0.86 CYP11B1 (0.56) HSD17B3CYP11B1CYP11B2TDP2MEN1
SCHEMBL13837284 0.84 CYP11B1 (0.42) HSD17B3CYP11B1CYP11B2TDP2MEN1
SCHEMBL26082937 0.82 HSD17B3 (0.40) HSD17B3CYP11B1CYP11B2TDP2PARP10
SCHEMBL14618928 0.81 TDP2 (0.46) HSD17B3CYP11B1CYP11B2TDP2MEN1
SCHEMBL19668945 0.81 ALDH1A1 (0.39) HSD17B3CYP11B1CYP11B2TDP2MEN1

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-3490019-A1 LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2019-05-29 EP disclosed