SCHEMBL20076850

SCHEMBL20076850

C=C(C)C1C(c2ccc(Br)cc2)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.38
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM1A O60341 5/20 0.31
RCOR1 Q9UKL0 3/20 0.31
KCNH2 Q12809 2/20 0.31
MAOB P27338 2/20 0.31
NOS1 P29475 1/20 0.31
KDM1B Q8NB78 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
SCHEMBL20076687 0.81 SLC9A1 (0.38) SLC9A1KMT2AGAALMNAPOLB
SCHEMBL15442883 0.78 SLC9A1 (0.45) SLC9A1KMT2ATSHRHSD17B10LMNA
SCHEMBL15442881 0.78 SLC9A1 (0.45) SLC9A1KMT2ATSHRHSD17B10LMNA
SCHEMBL15442879 0.78 SLC9A1 (0.45) SLC9A1KMT2ATSHRHSD17B10LMNA
SCHEMBL21021021 0.75 SLC9A1 (0.43) SLC9A1KDM1A
SCHEMBL20076385 0.75 SLC9A1 (0.59) SLC9A1
SCHEMBL20076734 0.74 SLC6A2 (0.38) SLC9A1CYP2D6KCNH2
SCHEMBL20076379 0.74 SLC9A1 (0.42) SLC9A1KMT2AMEN1CYP2D6MAPT
SCHEMBL17772011 0.71 TSHR (0.41) KMT2ATSHRGAAHSD17B10LMNA
SCHEMBL15443154 0.70 TSHR (0.56) KMT2ATSHRGAALMNAMEN1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed