SCHEMBL16299565

SCHEMBL16299565

CCCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(C(=O)N2CCN(CCO)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.54
ABCG2 Q9UNQ0 3/20 0.49
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL763761 0.90 ABCG2 (0.49) KIF11ABCG2MAPTTP53LMNA
SCHEMBL16299590 0.87 ABCG2 (0.48) KIF11ABCG2MEN1KMT2ATP53
SCHEMBL763900 0.82 ABCG2 (0.51) KIF11ABCG2MEN1MAPTKMT2A
SCHEMBL763656 0.81 ABCG2 (0.51) KIF11ABCG2TP53LMNAPOLB
SCHEMBL16313346 0.81 KIF11 (0.64) KIF11ABCG2TP53SMN1; SMN2LMNA
SCHEMBL764940 0.80 ABCG2 (0.46) KIF11ABCG2MEN1KMT2ATP53
SCHEMBL13727396 0.80 KIF11 (0.50) KIF11ABCG2MEN1MAPTKMT2A
SCHEMBL763996 0.79 ABCG2 (0.49) KIF11ABCG2TP53LMNAPOLB
SCHEMBL16299585 0.79 KIF11 (0.63) KIF11TP53SMN1; SMN2LMNA
SCHEMBL16299515 0.77 TP53 (0.60) KIF11ABCG2MAPTTP53SMN1; 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
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed