SCHEMBL5327283

SCHEMBL5327283

CC(C)Nc1ccccc1C=C(Br)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14387098 0.79 POLB (0.39) IDO1TDP1ALDH1A1LMNARECQL
SCHEMBL964992 0.76 LMNA (0.50) IDO1TDP1ALDH1A1LMNARECQL
SCHEMBL6880406 0.75 TDP1 (0.41) IDO1TDP1ALDH1A1LMNARECQL
SCHEMBL6286925 0.75 TDP1 (0.41) IDO1TDP1ALDH1A1LMNARECQL
Hydrochloric Acid SCHEMBL7804693 0.75 LMNA (0.48) IDO1TDP1ALDH1A1LMNARECQL
SCHEMBL14269527 0.73 CYP2C19 (0.57) ALDH1A1LMNARECQLCYP3A4TSHR
SCHEMBL4880171 0.73 GAA (0.42) TDP1ALDH1A1LMNATHRBL3MBTL1
SCHEMBL2962223 0.72 TDP1 (0.57) IDO1TDP1ALDH1A1LMNARECQL
SCHEMBL4884369 0.72 MAPT (0.45) TDP1ALDH1A1LMNARECQLCYP3A4
SCHEMBL5324158 0.69 CYP1A2 (0.41) IDO1ALDH1A1CYP3A4TSHRALOX12

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-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed