SCHEMBL7686930

SCHEMBL7686930

O=C1CC(c2ccccc2)Cc2[nH]ccc(=O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
PIM1 P11309 2/20 0.46
CLK4 Q9HAZ1 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
BUB1 O43683 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TP53 P04637 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7683107 0.82 ADORA2A (0.49) ALOX15TSHRHSD17B10LMNAKMT2A
SCHEMBL7689656 0.80 TP53 (0.49) TSHRLMNAPIM1CLK4MAPT
SCHEMBL7685234 0.77 ALOX15 (0.56) ALOX15TSHRHSD17B10LMNAKMT2A
SCHEMBL7689646 0.75 HSD17B10 (0.50) ALOX15TSHRHSD17B10LMNAKMT2A
SCHEMBL7681249 0.69 ALOX15 (0.53) ALOX15TSHRHSD17B10LMNAKMT2A
SCHEMBL4423266 0.68 ADORA2A (0.55) ALOX15TSHRHSD17B10LMNAKMT2A
SCHEMBL21954834 0.66 MAPT (0.57) LMNAKMT2AGAAMAPTMAP1LC3B
SCHEMBL16217099 0.66 ALOX15 (0.83) ALOX15TSHRHSD17B10LMNAKMT2A
SCHEMBL7683273 0.66 ADORA2A (0.59) ALOX15TSHRHSD17B10LMNAKMT2A
SCHEMBL449180 0.65 MAPT (0.82) LMNAKMT2AGAAMAPTMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed