SCHEMBL11248026

SCHEMBL11248026

OC(C#CI)(c1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.47
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 1/20 0.44
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
KCNN4 O15554 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
NR3C1 P04150 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCL2 P10415 1/20 0.31

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
SCHEMBL11247324 0.88 CYP19A1 (0.35) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL11251144 0.84 CYP19A1 (0.47) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL11261677 0.84 TSHR (0.43) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL11245253 0.83 CYP3A4 (0.46) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL11258472 0.82 MEN1 (0.46) CYP19A1MEN1KMT2ATSHRMAPK1
SCHEMBL9669413 0.79 KCNN4 (0.52) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL487445 0.76 KCNN4 (0.48) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL11242169 0.75 MEN1 (0.39) CYP19A1MEN1KMT2ATSHRMAPK1
SCHEMBL11258403 0.74 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL11249211 0.74 CYP19A1 (0.40) CYP19A1CYP3A4CYP3A5MEN1KMT2A

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