SCHEMBL7924191

SCHEMBL7924191

CC(C)(/C=C(\F)CBr)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 3/20 0.38
GSK3B P49841 1/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34
MIF P14174 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
BCL2 P10415 1/20 0.33
CYP19A1 P11511 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
SCHEMBL7924196 1.00 KMT2A (0.42) KMT2AMEN1NPSR1GSK3BMAPK1
SCHEMBL7918527 0.84 KMT2A (0.44) KMT2AMEN1NPSR1MAPK1TSHR
SCHEMBL7918526 0.84 KMT2A (0.44) KMT2AMEN1NPSR1MAPK1TSHR
SCHEMBL7620431 0.76 MEN1 (0.50) KMT2AMEN1NPSR1MAPK1TSHR
SCHEMBL8319358 0.75 GRIN2D (0.40) KMT2AMEN1MAPK1TSHRPOLB
SCHEMBL8319359 0.75 GRIN2D (0.40) KMT2AMEN1MAPK1TSHRPOLB
SCHEMBL11044678 0.74 MEN1 (0.52) KMT2AMEN1NPSR1MAPK1TSHR
SCHEMBL8585849 0.70 SMN1; SMN2 (0.39) KMT2AMEN1NPSR1POLBBCL2
SCHEMBL8585853 0.70 SMN1; SMN2 (0.39) KMT2AMEN1NPSR1POLBBCL2
SCHEMBL7624113 0.69 MEN1 (0.42) KMT2AMEN1NPSR1MAPK1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811596-B1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds BASF AG (DE) 2001-07-25 EP claimed
US-6262319-B1 BROMINATION OF THE CORRESPONDING ALCOHOL COMPOUND AMERICAN CYANAMID CO. 2001-07-17 US claimed
EP-0811596-A1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds American Cyanamid Company (US) 1997-12-10 EP claimed
EP-0811596-B1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds BASF AG (DE) 2001-07-25 EP disclosed
US-6262319-B1 BROMINATION OF THE CORRESPONDING ALCOHOL COMPOUND AMERICAN CYANAMID CO. 2001-07-17 US disclosed
US-5892131-A Process for the preparation of pesticidal fluoroolefin compounds AMERICAN CYANAMID COMPANY (US) 1999-04-06 US disclosed
EP-0811596-A1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds American Cyanamid Company (US) 1997-12-10 EP disclosed