SCHEMBL21262020

SCHEMBL21262020

COc1c(C(=O)NC(C)(C)CC(C)(C)C)cc(Br)c2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IMPDH2 P12268 1/20 0.33
TARBP2 Q15633 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21246662 0.85 POLB (0.33) POLBHTTSMN1; SMN2
SCHEMBL22556134 0.84 POLB (0.40) POLBHTTSMN1; SMN2
SCHEMBL21262186 0.77 POLB (0.40) POLBHTTSMN1; SMN2HPGDMEN1
SCHEMBL22578870 0.74 SMN1; SMN2 (0.35) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL22578857 0.74 POLB (0.39) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL26310716 0.74 POLB (0.36) POLBHTTSMN1; SMN2LMNACYP3A4
SCHEMBL22578993 0.72 SMN1; SMN2 (0.34) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL22578995 0.72 MAPT (0.34) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL26310926 0.70 SMN1; SMN2 (0.33) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL5680039 0.69 TARBP2 (0.49) POLBHTTTARBP2LMNACYP3A4

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
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 WO disclosed