SCHEMBL11258403

SCHEMBL11258403

OC(C#CI)(c1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.50
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
RORC P51449 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KIF11 P52732 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
NR3C1 P04150 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 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
SCHEMBL11256138 0.88 CYP19A1 (0.40) CYP19A1RORCMEN1KMT2ANPSR1
SCHEMBL11258472 0.86 MEN1 (0.46) CYP19A1MAPK1TSHRMEN1KMT2A
SCHEMBL11250364 0.84 CYP19A1 (0.47) CYP19A1MAPK1TSHRMEN1KMT2A
SCHEMBL11249211 0.83 CYP19A1 (0.40) CYP19A1MAPK1TSHRRORCMEN1
SCHEMBL11242169 0.78 MEN1 (0.39) CYP19A1MAPK1TSHRMEN1KMT2A
SCHEMBL11261677 0.77 TSHR (0.43) CYP19A1MAPK1TSHRMEN1KMT2A
SCHEMBL11242414 0.77 CYP19A1 (0.59) CYP19A1MAPK1TSHRMEN1KMT2A
SCHEMBL11048505 0.74 ALDH1A1 (0.47) TSHRMEN1KMT2ACHRM2CHRM3
SCHEMBL11248026 0.74 CYP19A1 (0.47) CYP19A1MAPK1TSHRMEN1KMT2A
SCHEMBL11286839 0.73 CYP19A1 (0.37) CYP19A1MEN1KMT2ANPSR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322442-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed