SCHEMBL6525524

SCHEMBL6525524

Cc1nccn1C1c2ccccc2CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
BCHE P06276 1/20 0.33
CHRM5 P08912 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
PRCP P42785 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

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
SCHEMBL651921 0.77 ALDH1A1 (0.34) CYP3A4ALOX15TSHRMAPK1KMT2A
SCHEMBL10517236 0.74 ADRA2A (0.36) CYP3A4ALOX15TSHRMAPK1CYP11B2
SCHEMBL2817712 0.72 CYP19A1 (0.46) CYP3A4ALOX15TSHRMAPK1CYP11B2
SCHEMBL2818454 0.72 CYP19A1 (0.46) CYP3A4ALOX15TSHRMAPK1CYP11B2
SCHEMBL2817709 0.72 CYP19A1 (0.46) CYP3A4ALOX15TSHRMAPK1CYP11B2
SCHEMBL9825724 0.71 CYP11B2 (0.33) CYP11B2ADRA2A
SCHEMBL167966 0.69 GCK (0.39) ALOX15TSHRMAPK1KMT2AMEN1
SCHEMBL2819540 0.69 IDO1 (0.36) CYP3A4ALOX15KMT2AMEN1CYP2D6
SCHEMBL2821143 0.69 CYP11B2 (0.35) CYP3A4CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL2820839 0.69 ADRA2A (0.34) CYP3A4KMT2ACYP2D6CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP claimed
WO-2005009130-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-02-03 WO disclosed