SCHEMBL5322853

SCHEMBL5322853

Cc1cccc(NCc2ccccc2)c1C=C(Br)Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.45
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 4/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4894540 0.76 HSD17B10 (0.53) HSD17B10KDM4EHTTHPGDKMT2A
SCHEMBL3440796 0.75 ADRA2C (0.72) ADRA2CHSD17B10KDM4EHTTHPGD
SCHEMBL29118505 0.74 ADRA2C (0.53) ADRA2CHSD17B10KDM4EHTTHPGD
SCHEMBL28229249 0.74 ADRA2C (0.53) ADRA2CHSD17B10KDM4EHTTHPGD
SCHEMBL2232108 0.74 HSD17B10 (0.60) ADRA2CHSD17B10KDM4EHTTHPGD
Bromide SCHEMBL30496129 0.73 ADRA2C (0.70) ADRA2CHSD17B10KDM4EHTTHPGD
SCHEMBL29049206 0.73 HSD17B10 (0.55) ADRA2CHSD17B10KDM4EHTTHPGD
Formic Acid SCHEMBL29049228 0.73 HSD17B10 (0.55) ADRA2CHSD17B10KDM4EHTTHPGD
Hydrochloric Acid SCHEMBL4373569 0.73 HSD17B10 (0.58) ADRA2CHSD17B10KDM4EHTTHPGD
Iodide SCHEMBL29049215 0.73 HSD17B10 (0.58) ADRA2CHSD17B10KDM4EHTTHPGD

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