SCHEMBL14934982

SCHEMBL14934982

Nc1ncc([C@H]2CC2C(F)(F)F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.36
MAP3K12 Q12852 3/20 0.32
MAOB P27338 3/20 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
SCHEMBL16139580 0.81 CHRNB2 (0.36) KDM1A
SCHEMBL14920377 0.75 SLC6A4 (0.34) KDM1A
SCHEMBL28360870 0.74 KDM1A (0.30) KDM1A
SCHEMBL14919965 0.72
SCHEMBL14934977 0.72 KDM4E (0.38) MAP3K12
SCHEMBL29830941 0.72 KDM4E (0.38) MAP3K12
SCHEMBL14934980 0.70 MAP3K12 (0.37) MAP3K12
SCHEMBL119730 0.66 ALDH1A1 (0.59)
SCHEMBL3603993 0.66
SCHEMBL28728521 0.66 TDP1 (0.33)

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-2013064521-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed