SCHEMBL11062000

SCHEMBL11062000

COc1c(Cl)cccc1NC(C(=O)Cl)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TSHR P16473 1/20 0.36
CXCL8 P10145 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TOP1 P11387 1/20 0.36
NOTUM Q6P988 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11201546 0.89 RAF1 (0.42) RAF1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL11061853 0.89 RAF1 (0.42) RAF1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL21965754 0.78 NR4A2 (0.43) RAF1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL11061360 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ETSHRLMNA
SCHEMBL11058926 0.77 CXCL8 (0.42) ALDH1A1CXCL8TYK2
SCHEMBL2093882 0.72 RAF1 (0.53) RAF1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2088329 0.72 RAF1 (0.53) RAF1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL2088326 0.72 RAF1 (0.53) RAF1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL11411176 0.71 RAF1 (0.45) RAF1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20984981 0.71 GAA (0.47) RAF1TAS1R3TAS1R1TAS1R2ALDH1A1

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-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed