SCHEMBL9765532

SCHEMBL9765532

O=C1c2ccccc2C(Br)C(Br)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.50
EDNRB P24530 5/20 0.45
EDNRA P25101 5/20 0.45
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41

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
SCHEMBL8087901 0.83 MEN1 (0.52) S100A4EDNRBEDNRACYP1A2MAPK1
SCHEMBL8087837 0.83 MEN1 (0.52) S100A4EDNRBEDNRACYP1A2MAPK1
SCHEMBL19164165 0.81 MAPK1 (0.62) S100A4EDNRBEDNRACYP1A2MAPK1
SCHEMBL13789561 0.79 S100A4 (0.41) S100A4THRBMEN1CDC25BKMT2A
SCHEMBL11178593 0.76 MTNR1A (0.47) EDNRBEDNRAMAPK1ALDH1A1MAPT
SCHEMBL11493706 0.76 S100A4 (0.46) S100A4EDNRBEDNRACYP1A2MAPK1
SCHEMBL31318355 0.74 GPR3 (0.46) S100A4EDNRBEDNRACACNB4CACNA1A
SCHEMBL19164428 0.74 CYP1A2 (0.77) S100A4EDNRBEDNRACYP1A2MAPK1
SCHEMBL155593 0.73 S100A4 (0.87) S100A4MAPK1ALDH1A1MAPTTHRB
SCHEMBL29378883 0.73 S100A4 (0.87) S100A4MAPK1ALDH1A1MAPTTHRB

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
EP-0272621-B1 Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones BASF Aktiengesellschaft (DE) 1991-11-27 EP disclosed
US-4845302-A Preparation of 5H-dibenzo[a,d]cyclohepten-5-ones BASF AKTIENGSELLSCHAFT (DE) 1989-07-04 US disclosed