SCHEMBL8530606

SCHEMBL8530606

CON=C(C(=O)N(C)Cc1cc(C2CCc3cc(Cl)ccc32)ccc1O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
SLC6A9 P48067 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
KDM1A O60341 1/20 0.31
SLC6A4 P31645 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 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
SCHEMBL8526541 0.90 KMT2A (0.34) SLC6A9KMT2APDK1PDK2PDK3
SCHEMBL8529282 0.84 KIF11 (0.34) KIF11ALDH1A1
SCHEMBL8527009 0.79 SLC6A4 (0.35) ALDH1A1SLC6A4
SCHEMBL8530444 0.74 HIF1A (0.35) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL8527784 0.70 PIN1 (0.33) LMNA
SCHEMBL8530604 0.68 HIF1A (0.50) HIF1AKDM1A
SCHEMBL27795570 0.65 GAA (0.38) MEN1KMT2ACYP2C19HIF1ALMNA
SCHEMBL24899246 0.65 KDM1A (0.49) KDM1ACYP3A4
SCHEMBL22072985 0.65 KDM1A (0.49) KDM1ACYP3A4
SCHEMBL27909263 0.65 KDM1A (0.49) KDM1ACYP3A4

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-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed