SCHEMBL16301429

SCHEMBL16301429

CCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KIF11 P52732 5/20 0.47
SIRT1 Q96EB6 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL764770 0.93 TP53 (0.60) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL8403740 0.93 TP53 (0.57) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL12980192 0.93 KIF11 (0.52) TP53MAPTSMN1; SMN2KIF11ABCB1
SCHEMBL9962022 0.92 TP53 (0.56) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL764005 0.92 TP53 (0.56) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL763651 0.92 TP53 (0.65) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL12984290 0.92 TP53 (0.55) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL8403626 0.91 TP53 (0.58) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL22238496 0.91 TP53 (0.56) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL764624 0.91 TP53 (0.56) TP53MAPTSMN1; SMN2KIF11SIRT1

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-2431369-A2 Carboline derivatives useful in the inhibition of angiogenesis PTC Therapeutics, Inc. (US) 2012-03-21 EP disclosed