SCHEMBL807796

SCHEMBL807796

Cc1nc(N2CCC(C)(c3cc(Cl)c(Cl)c(Cl)c3)C2)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PTPN11 Q06124 6/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL808210 0.83 PTPN11 (0.34) PTPN11
SCHEMBL794037 0.82 JAK2 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL808187 0.81 HTR3E (0.43) PTPN11
SCHEMBL808215 0.73 DRD2 (0.36)
Ammonia Solution, Strong SCHEMBL27935209 0.69 SCD (0.32)
SCHEMBL9996944 0.67 L3MBTL1 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL795137 0.66 CNR2 (0.33) PTPN11
SCHEMBL15228263 0.64 HTR3A (0.54)
SCHEMBL9996994 0.63 SMN1; SMN2 (0.48)
SCHEMBL21815418 0.63 HTR3E (0.50)

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
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 WO disclosed