SCHEMBL16625998

SCHEMBL16625998

CCN(CC)CCCn1c2ccc(C(C)=O)cc2c2c3c(ccc21)C(=O)CC3

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
KDR P35968 5/20 0.42
TEK Q02763 4/20 0.42
NPC1 O15118 2/20 0.40
SLC6A4 P31645 2/20 0.40
CNR2 P34972 2/20 0.40
SLC6A2 P23975 1/20 0.40
HRH1 P35367 1/20 0.40
WEE1 P30291 1/20 0.39
MC4R P32245 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16454764 0.97 TP53 (0.61) TP53KDRTEKNPC1SLC6A4
SCHEMBL16154635 0.94 TP53 (0.65) TP53KDRTEKNPC1CNR2
SCHEMBL13637361 0.91 TP53 (0.64) TP53KDRTEKNPC1CNR2
SCHEMBL15848962 0.89 TP53 (0.60) TP53KDRTEKNPC1CNR2
SCHEMBL15848975 0.89 TP53 (0.66) TP53KDRTEKNPC1CNR2
SCHEMBL16454377 0.89 TP53 (0.66) TP53KDRTEKNPC1CNR2
SCHEMBL16627405 0.88 TP53 (0.62) TP53KDRTEKNPC1CNR2
SCHEMBL16454748 0.88 TP53 (0.62) TP53KDRTEKNPC1CNR2
SCHEMBL16120082 0.88 TP53 (0.67) TP53KDRTEKNPC1CNR2
SCHEMBL16454755 0.87 TP53 (0.60) TP53KDRTEKNPC1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed
WO-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed