SCHEMBL17495166

SCHEMBL17495166

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NCc3ccc4c(c3)CN(N3C(=O)CCCC3=O)C4=O)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GSPT1 P15170 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
NR1H2 P55055 1/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
NAMPT P43490 5/20 0.38
GPR119 Q8TDV5 2/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL60743 0.80 CRBN (0.67) GSPT1DDB1CRBNIKZF3
SCHEMBL26100972 0.80 ESR2 (0.56) ESR2NPC1RAB9ANR1H2PIK3CA
SCHEMBL7019447 0.79 CRBN (0.58) ESR2NPC1RAB9AGSPT1DDB1
SCHEMBL17495165 0.74 ESR2 (0.48) ESR2NPC1RAB9ADDB1CRBN
SCHEMBL1187991 0.73 NPC1 (0.54) ESR2NPC1RAB9ANR1H2PIK3CA
SCHEMBL1188104 0.73 ESR2 (0.61) ESR2NPC1RAB9ANR1H2PIK3CA
SCHEMBL1188295 0.72 ESR2 (0.63) ESR2NPC1RAB9ANR1H2PIK3CA
SCHEMBL1187860 0.72 ESR2 (0.62) ESR2NPC1RAB9ANR1H2PIK3CA
SCHEMBL1188540 0.72 ESR2 (0.62) ESR2NPC1RAB9ANR1H2PIK3CA
SCHEMBL31174286 0.71 ESR2 (0.67) ESR2NPC1RAB9ANR1H2PIK3CA

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-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 EP disclosed