SCHEMBL11246284

SCHEMBL11246284

OC(C#CBr)(c1ccc(Br)cc1)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
KCNN4 O15554 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL11251144 0.89 CYP19A1 (0.47) CYP19A1KCNN4CYP3A4CYP3A5HTR2A
SCHEMBL11247324 0.86 CYP19A1 (0.35) CYP19A1KCNN4CYP3A4CYP3A5HTR2A
SCHEMBL11250000 0.78 MEN1 (0.41) CYP19A1CYP3A4MEN1KMT2ALMNA
SCHEMBL9669413 0.78 KCNN4 (0.52) CYP19A1KCNN4CYP3A4CYP3A5HTR2A
SCHEMBL11239589 0.75 CYP3A4 (0.46) CYP19A1KCNN4CYP3A4CYP3A5HTR2A
SCHEMBL487445 0.75 KCNN4 (0.48) CYP19A1KCNN4CYP3A4CYP3A5HTR2A
SCHEMBL11256928 0.73 TSHR (0.43) CYP19A1CYP3A4CYP3A5MEN1KMT2A
SCHEMBL11248026 0.73 CYP19A1 (0.47) CYP19A1KCNN4CYP3A4CYP3A5HTR2A
SCHEMBL9067519 0.71 KCNN4 (0.52) CYP19A1KCNN4CYP3A4CYP3A5HTR2A
SCHEMBL11871226 0.71 KCNN4 (0.42) CYP19A1KCNN4CYP3A4CYP3A5HTR2A

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