SCHEMBL21020941

SCHEMBL21020941

CNc1cc(-c2ccc(F)cc2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.41
IKBKB O14920 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR6 P50406 1/20 0.37
HDAC2 Q92769 4/20 0.36
KIF11 P52732 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 1/20 0.36
GALR3 O60755 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
OGG1 O15527 1/20 0.35
APP P05067 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL9230966 0.83 MAPT (0.42) KDM4EALDH1A1KMT2ALMNAMAPT
SCHEMBL1015853 0.79 CYP3A4 (0.53) TNKS2KDM4EALDH1A1HDAC2KMT2A
SCHEMBL10304735 0.76 TNKS2 (0.47) TNKS2KDM4EALDH1A1ACHEMAPK14
SCHEMBL3713935 0.76 KIF11 (0.43) KDM4EALDH1A1KIF11KMT2ALMNA
SCHEMBL1015114 0.75 MAPK14 (0.41) TNKS2KDM4EALDH1A1HDAC2KMT2A
SCHEMBL21100108 0.74 TDP1 (0.65) KDM4EALDH1A1HDAC2KMT2AMAPT
SCHEMBL20495124 0.74 PRKCI (0.44) IKBKBHDAC2KIF11KMT2AHDAC3
SCHEMBL21416767 0.74 HDAC2 (0.43) ALDH1A1HTR6HDAC2ACHEMAPT
SCHEMBL3927309 0.74 HDAC8 (0.49) KDM4EALDH1A1HDAC2KMT2ALMNA
SCHEMBL1018976 0.74 PTPN1 (0.52) KDM4EALDH1A1HDAC2KMT2ALMNA

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