SCHEMBL8549089

SCHEMBL8549089

CCCCOc1c(-c2ccccc2C)cc(C(=O)c2ccccc2)c(C(=O)OC)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CCNB2 O95067 3/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
MAPT P10636 4/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37

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
SCHEMBL8548540 0.85 THRA (0.44) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL8546447 0.74 HPGD (0.46) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28809090 0.74 RAB9A (0.47) MAPTPLA2G2APTPN11L3MBTL1TDP1
SCHEMBL8548592 0.71 THRA (0.50) MAPTPLA2G2APTPN11L3MBTL1AKR1C2
SCHEMBL8551491 0.71 THRA (0.49) MAPTPLA2G2AL3MBTL1THRATHRB
SCHEMBL12765211 0.68 CCNE2 (0.48) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL8548248 0.68 THRA (0.49) MAPTL3MBTL1TDP1THRATHRB
SCHEMBL12646896 0.67 CCNE2 (0.47) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL27932429 0.67 LMNA (0.46) MAPTTDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL11573931 0.67 LMNA (0.57) PTPN11L3MBTL1THRATHRBLMNA

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-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed