SCHEMBL11613637

SCHEMBL11613637

O=C1c2ccccc2C(Br)C(Br)c2sccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41
PTPRC P08575 1/20 0.41
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
TERT O14746 1/20 0.37
MEN1 O00255 1/20 0.35
CDC25B P30305 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES1 P23141 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL11609389 0.82 PTPRC (0.35) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL8087837 0.82 MEN1 (0.52) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL8087901 0.82 MEN1 (0.52) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL11610183 0.79 ALDH1A1 (0.33) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL3049110 0.74 MAPK1 (0.44) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL11612293 0.70 PTPRC (0.35) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL6902840 0.69 MEN1 (0.52) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL7959774 0.69 MAPK1 (0.44) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL19164428 0.69 CYP1A2 (0.77) EDNRBEDNRAPTPRCCYP1A2MAPK1
SCHEMBL19164165 0.69 MAPK1 (0.62) EDNRBEDNRAPTPRCCYP1A2MAPK1

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
US-4128549-A Precursors of 4-(1-alkyl-4-piperidylidene-4H-benzo[4,5]cyclohepta-[1,2-b]thiophen-10(9H)-ones SANDOZ LTD. (CH) 1978-12-05 US disclosed
US-3960894-A 9-Bromo-or chloro-9,10-dihydro-10-dihydro-10-alkoxy-4H-benzo[4,5]cyclo-hepta[1,2-b]thiophen-4-ones SANDOZ LTD. (CH) 1976-06-01 US disclosed