SCHEMBL21021990

SCHEMBL21021990

C=C(NC)c1cc(NC(=C)C2C(c3cc(C)cc(OC)c3)C2(C)Cl)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 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
SCHEMBL21020692 0.79 MEN1 (0.30) MAPTALDH1A1MEN1KMT2A
SCHEMBL20076742 0.78 MEN1 (0.31) MAPTALDH1A1MEN1KMT2A
SCHEMBL21021313 0.77 MEN1 (0.30) MAPTALDH1A1MEN1KMT2A
SCHEMBL20076427 0.75 NPC1 (0.38) MAPTALDH1A1MEN1KMT2A
SCHEMBL21019825 0.75 KDM4E (0.34) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL21021366 0.74 MEN1 (0.30) SMN1; SMN2MEN1KMT2A
SCHEMBL20076434 0.74 MEN1 (0.32) MAPTALDH1A1MEN1KMT2A
SCHEMBL21021896 0.74 SLC9A1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL21021594 0.73 POLB (0.37) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL21020557 0.72 NPC1 (0.32) SMN1; SMN2KDM4EMAPTALDH1A1MEN1

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