SCHEMBL16299568

SCHEMBL16299568

CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(CCCCCN2CCN(CCO)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.45
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
KIF11 P52732 7/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
STAT3 P40763 1/20 0.42

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
SCHEMBL763647 0.89 TP53 (0.47) LMNAMAPTMEN1KMT2ATP53
SCHEMBL13725813 0.89 LMNA (0.54) LMNAMAPTMEN1KMT2ATP53
SCHEMBL10201944 0.86 LMNA (0.54) LMNAMAPTMEN1KMT2ATP53
SCHEMBL13727396 0.86 KIF11 (0.50) LMNAMAPTMEN1KMT2ATP53
SCHEMBL763503 0.85 ESR1 (0.48) LMNAMAPTMEN1KMT2ATP53
SCHEMBL763677 0.84 LMNA (0.57) LMNAMAPTMEN1KMT2ATP53
SCHEMBL11912410 0.84 LMNA (0.46) LMNAMAPTMEN1KMT2ATP53
SCHEMBL8403829 0.84 ESR1 (0.53) LMNAMAPTMEN1KMT2ATP53
SCHEMBL763582 0.84 ESR1 (0.49) LMNAMAPTMEN1KMT2ATP53
SCHEMBL763502 0.83 ESR1 (0.52) LMNAMAPTMEN1KMT2ATP53

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-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed