SCHEMBL7680650

SCHEMBL7680650

CCOC(=O)C1(C2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)c2ccco2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPKAPK2 P49137 3/20 0.46
KMT2A Q03164 4/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
TP53 P04637 5/20 0.43
ABL1 P00519 2/20 0.42
RIN1 Q13671 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KIF11 P52732 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7680170 0.90 LMNA (0.52) MAPTKMT2ATP53ABL1RIN1
SCHEMBL7853673 0.90 MAPKAPK2 (0.49) MAPTMAPKAPK2KMT2AABCG2TP53
SCHEMBL7681030 0.86 MAPKAPK2 (0.52) MAPTMAPKAPK2KMT2AABCG2TP53
SCHEMBL7677053 0.85 MAPKAPK2 (0.58) MAPTMAPKAPK2KMT2AABCG2TP53
SCHEMBL7677091 0.83 MAPKAPK2 (0.58) MAPTMAPKAPK2KMT2AABCG2TP53
SCHEMBL7677783 0.81 ABCG2 (0.52) MAPTMAPKAPK2KMT2AABCG2TP53
SCHEMBL7843396 0.78 TP53 (0.57) MAPTMAPKAPK2KMT2AABCG2TP53
SCHEMBL7683829 0.77 LMNA (0.46) MAPTKMT2ATP53SMN1; SMN2KIF11
SCHEMBL7683405 0.77 KIF11 (0.38) MAPTMAPKAPK2KMT2AABCG2TP53
SCHEMBL7677069 0.77 MEN1 (0.49) MAPTKMT2AABCG2TP53SMN1; SMN2

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-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed