SCHEMBL12468508

SCHEMBL12468508

CC1CC1COc1cc(Cl)ncn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
FFAR2 O15552 1/20 0.34
ACACB O00763 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CHRNA3 P32297 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL26360891 0.85 MEN1 (0.33) MEN1KMT2AHDAC1HDAC6HDAC5
SCHEMBL22247294 0.77 KMO (0.40) ACACBMEN1KMT2AFFAR4
SCHEMBL27250579 0.76 NAE1 (0.35)
SCHEMBL15024155 0.76 NAE1 (0.35)
SCHEMBL15024140 0.75 NAE1 (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL14387902 0.72 ALDH1A1 (0.39) ACACBKMT2AHDAC1HDAC6HDAC5
SCHEMBL3468705 0.72 TAS1R3 (0.42) MCHR1ACACBMEN1KMT2ATAS1R3
SCHEMBL6550881 0.71 MEN1 (0.30) MEN1KMT2A
SCHEMBL14376107 0.69 ENPP1 (0.41) ACACBKMT2AHDAC1HDAC6HDAC5
SCHEMBL2704510 0.69 SLC6A4 (0.35) ACACBFFAR4

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-2012050237-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 WO disclosed