SCHEMBL7677069

SCHEMBL7677069

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2ccccc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ABCG2 Q9UNQ0 9/20 0.49
ABCB1 P08183 4/20 0.49
KIF11 P52732 5/20 0.46
SIRT1 Q96EB6 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7680379 0.95 MAPT (0.51) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7681633 0.92 MEN1 (0.48) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7677783 0.91 ABCG2 (0.52) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7679575 0.91 MAPT (0.46) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7683791 0.89 SIRT1 (0.56) MEN1KMT2AMAPTLMNAKIF11
SCHEMBL7674484 0.89 KMT2A (0.47) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7693228 0.89 MEN1 (0.48) MEN1KMT2AMAPTLMNAKIF11
SCHEMBL7683286 0.88 DHODH (0.49) MEN1KMT2AMAPTLMNAKIF11
SCHEMBL7680371 0.88 KMT2A (0.47) MEN1KMT2AMAPTLMNAKIF11
SCHEMBL7843919 0.88 ABCG2 (0.55) ABCG2ABCB1KIF11SIRT1ALDH1A1

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