SCHEMBL21022116

SCHEMBL21022116

CC(=O)C1C(c2cccc(C(F)F)c2)C1(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.39
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP2 O95551 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
CYP2C19 P33261 1/20 0.32
GRIN2B Q13224 2/20 0.32
HTT P42858 1/20 0.30
ACACB O00763 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL18144235 0.78 MEN1 (0.41) SLC9A1MAPTALDH1A1MEN1KMT2A
SCHEMBL18144237 0.78 MEN1 (0.41) SLC9A1MAPTALDH1A1MEN1KMT2A
SCHEMBL18144240 0.78 MEN1 (0.41) SLC9A1MAPTALDH1A1MEN1KMT2A
SCHEMBL21022192 0.76 SLC9A1 (0.30) SLC9A1
SCHEMBL21021905 0.72 RXRA (0.32) SLC9A1MAPK1GRIN2B
SCHEMBL21019005 0.70 MAPT (0.40) SLC9A1MAPTALDH1A1KDM4EMEN1
SCHEMBL18144106 0.70 MAPT (0.40) SLC9A1MAPTALDH1A1KDM4EMEN1
SCHEMBL18144110 0.70 MAPT (0.40) SLC9A1MAPTALDH1A1KDM4EMEN1
SCHEMBL20076696 0.70 GAA (0.44) SLC9A1MAPTALDH1A1KDM4EMEN1
SCHEMBL21020706 0.69

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed