SCHEMBL13637166

SCHEMBL13637166

CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC[C@H]1CCCN1C)C(=O)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
ADRA2A P08913 1/20 0.43
PLK1 P53350 1/20 0.37
KDR P35968 4/20 0.37
TEK Q02763 4/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
RAB9A P51151 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.35
DRD3 P35462 1/20 0.34

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
SCHEMBL13418901 1.00 TP53 (1.00) TP53ADRA2APLK1KDRTEK
SCHEMBL13637360 1.00 TP53 (1.00) TP53ADRA2APLK1KDRTEK
SCHEMBL12608668 0.90 TP53 (0.82) TP53ADRA2APLK1KDRTEK
SCHEMBL12608669 0.90 TP53 (0.82) TP53ADRA2APLK1KDRTEK
SCHEMBL13418930 0.86 TP53 (0.76) TP53ADRA2APLK1CHRNB2CHRNA5
SCHEMBL12608716 0.86 TP53 (0.76) TP53ADRA2APLK1CHRNB2CHRNA5
SCHEMBL18975402 0.85 TP53 (0.74) TP53ADRA2APLK1
SCHEMBL18969209 0.85 TP53 (0.74) TP53ADRA2APLK1
SCHEMBL14548900 0.84 TP53 (0.73) TP53ADRA2APLK1
SCHEMBL2365560 0.84 TP53 (0.73) TP53ADRA2APLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294186-B1 INDUCING CELL DEATH BY INHIBITING ADAPTIVE HEAT SHOCK RESPONSE INCURON INC (US) 2019-10-09 EP disclosed
US-20190082845-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS INCURON INC (US) 2019-03-21 US disclosed
US-9566265-B2 Carbazole compounds and therapeutic uses of the compounds INCURON, LLC (US) 2017-02-14 US disclosed
US-8486697-B2 Inducing cell death by inhibiting adaptive heat shock response INCURON, LLC (US) 2013-07-16 US disclosed
US-8486697-B2 Inducing cell death by inhibiting adaptive heat shock response INCURON, LLC (US) 2013-07-16 US disclosed
WO-2009143290-A2 INDUCING CELL DEATH BY INHIBITING ADAPTIVE HEAT SHOCK RESPONSE CLEVELAND BIOLABS, INC (US) 2009-11-26 WO disclosed