SCHEMBL9799416

SCHEMBL9799416

CON(C)C(=O)N(CCCc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SIGMAR1 Q99720 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDPK1 O15530 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL9799301 0.86 PTGIR (0.51) SIGMAR1TSHRPTGIRPLAAT3PLAAT5
SCHEMBL9799418 0.86 TAAR1 (0.46) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL11210893 0.85 AOC3 (0.46) CHRM1CHRM2SIGMAR1ALDH1A1TSHR
SCHEMBL11212858 0.83 FDPS (0.46) ALDH1A1MEN1KMT2ATP53LMNA
SCHEMBL9799179 0.78 TACR1 (0.46) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL14830297 0.76 CDK8 (0.52) CDK8CLK4TRPV1SIGMAR1ALDH1A1
SCHEMBL14830261 0.73 APEX1 (0.39) CDK8CLK4CHRM5CHRM1CHRM3
SCHEMBL11675491 0.72 SLC6A3 (0.42) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL14829339 0.72 CDK8 (0.61) CDK8CLK4SIGMAR1ALDH1A1MEN1
SCHEMBL11225496 0.71 CHRM5 (0.49) CHRM5CHRM1CHRM3CHRM2TRPV1

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-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US claimed