SCHEMBL21590000

SCHEMBL21590000

CC(C)(C)c1cc(N)c(N)c(=O)n1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.33
TRPV4 Q9HBA0 2/20 0.32
MTOR P42345 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
EEF2K O00418 1/20 0.30
EEF2 P13639 1/20 0.30
LMNA P02545 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
SCHEMBL21590002 0.73 ATAD2 (0.33)
SCHEMBL21590042 0.69 KDM4E (0.34) ALDH1A1EEF2KLMNA
SCHEMBL10183015 0.63 MEN1 (0.32) ALDH1A1CYP1A2CYP3A4
SCHEMBL9427515 0.61 MEN1 (0.41) PIK3CA
SCHEMBL24126358 0.61 ATAD2 (0.32)
SCHEMBL28863512 0.60 HPGD (0.41) PIK3CAMTORALDH1A1CYP3A4EEF2K
SCHEMBL28863515 0.60 ALDH1A1 (0.45) PIK3CAMTORALDH1A1CYP3A4EEF2K
SCHEMBL9427221 0.60 PIK3CA (0.35) PIK3CAMTORALDH1A1CYP1A2CYP3A4
SCHEMBL21341332 0.59 HSD11B1 (0.36) TRPV4ALDH1A1LMNA
SCHEMBL25886649 0.59 ALDH1A1 (0.39) PIK3CAALDH1A1CYP1A2CYP3A4CYP2C9

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-2019234158-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 WO disclosed