SCHEMBL7676645

SCHEMBL7676645

CCOC(=O)C1(C2c3[nH]c4ccc(Br)cc4c3CCN2C(=O)c2ccoc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 4/20 0.37
ABCG2 Q9UNQ0 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
LMNA P02545 2/20 0.36
DHODH Q02127 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL7674484 0.91 KMT2A (0.47) KIF11KMT2AMEN1ALDH1A1ABCG2
SCHEMBL7851436 0.88 ABCG2 (0.42) KIF11ABCG2DHODH
SCHEMBL7683405 0.84 KIF11 (0.38) KIF11KMT2AMEN1ALDH1A1ABCG2
SCHEMBL7680379 0.81 MAPT (0.51) KIF11KMT2AMEN1ALDH1A1ABCG2
SCHEMBL7677069 0.79 MEN1 (0.49) KIF11KMT2AMEN1ALDH1A1ABCG2
SCHEMBL7853658 0.78 SIRT1 (0.46) KIF11ALDH1A1ABCG2MAPTLMNA
SCHEMBL7681633 0.78 MEN1 (0.48) KIF11KMT2AMEN1ALDH1A1ABCG2
SCHEMBL7677783 0.78 ABCG2 (0.52) KIF11KMT2AMEN1ALDH1A1ABCG2
SCHEMBL7680170 0.77 LMNA (0.52) KIF11KMT2AMEN1ALDH1A1MAPT
SCHEMBL7680650 0.76 MAPT (0.46) KIF11KMT2AALDH1A1ABCG2MAPT

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