SCHEMBL9401154

SCHEMBL9401154

CC(=O)N1CCc2c([nH]c3ccc(OCc4ccccc4)cc23)C1C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.61
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
S1PR1 P21453 5/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.48
KIF11 P52732 2/20 0.47

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
SCHEMBL16301440 0.89 KIF11 (0.60) MAPKAPK2LMNAMAPTTP53KIF11
SCHEMBL2707877 0.83 MAPKAPK2 (0.62) MAPKAPK2MAPTTP53
SCHEMBL8403023 0.81 TP53 (0.60) MAPKAPK2LMNAMAPTTP53KIF11
SCHEMBL8402845 0.81 KIF11 (0.59) LMNAMAPTTP53KIF11
SCHEMBL945721 0.81 MAPKAPK2 (0.56) MAPKAPK2BCHEACHES1PR1LMNA
SCHEMBL6244101 0.79 MAPKAPK2 (0.60) MAPKAPK2BCHEACHES1PR1LMNA
SCHEMBL6238198 0.79 MAPKAPK2 (0.63) MAPKAPK2BCHEACHES1PR1LMNA
SCHEMBL9401163 0.78 LMNA (0.70) BCHEACHELMNAMAPTKIF11
SCHEMBL8403014 0.78 TP53 (0.63) MAPKAPK2LMNAMAPTTP53KIF11
SCHEMBL16302690 0.77 LMNA (0.59) MAPKAPK2LMNAMAPTTP53KIF11

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
US-5314908-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1994-05-24 US disclosed
EP-0549916-A2 Compounds useful as antiproliferative agents WHITBY RESEARCH, Inc. (US) 1993-07-07 EP disclosed
US-5206377-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1993-04-27 US disclosed