SCHEMBL11604684

SCHEMBL11604684

CCOC(=O)C1=CCC(=[N+]=[N-])C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 2/20 0.36
HTT P42858 2/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA7 P43166 6/20 0.34
CA9 Q16790 6/20 0.34
CA14 Q9ULX7 6/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL31734107 0.87 SERPINE1 (0.33)
SCHEMBL31734106 0.84 MAPK1 (0.38) HIF1AMAPK1
SCHEMBL47924 0.77 CA12 (0.42) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL11313304 0.72 TSHR (0.36) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL28732750 0.71 KDM4E (0.42) MAPTLMNASMN1; SMN2HSP90AA1HTT
Hydrochloric Acid SCHEMBL28484017 0.71 TSHR (0.35) MAPTLMNASMN1; SMN2HTTTSHR
SCHEMBL13969442 0.69 TSHR (0.42) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL4467924 0.68 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL5114658 0.68 CA12 (0.43) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL15805131 0.68 NFKB1 (0.39) MAPTLMNAHTTTSHRCA12

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
US-4098816-A HYPOGLYCEMIC AGENTS AND ANTILIPEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1978-07-04 US disclosed