SCHEMBL21022502

SCHEMBL21022502

C=Cc1cc(C2C(C(=O)Nc3ccc(Cl)c(C=O)c3)C2(Cl)Cl)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 4/20 0.35
HPGD P15428 1/20 0.35
SLC2A1 P11166 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL21022437 0.89 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL23465696 0.85 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL21021853 0.85 MEN1 (0.46) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL21022282 0.82 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL21021988 0.82 MEN1 (0.43) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL20050809 0.82 MEN1 (0.44) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL18147808 0.82 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL18147801 0.82 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL18147803 0.82 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1RECQL
SCHEMBL18147497 0.81 KMT2A (0.52) KMT2AMEN1LMNAALDH1A1RECQL

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