SCHEMBL17835462

SCHEMBL17835462

CCNC(=O)n1nc(Oc2c(Cl)ccc(C(F)(F)F)c2Cl)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
RAF1 P04049 1/20 0.35
P2RX7 Q99572 6/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLA2G7 Q13093 2/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
GAA P10253 1/20 0.34
NR3C1 P04150 1/20 0.34
BRAF P15056 1/20 0.34
HDAC1 Q13547 1/20 0.34
MAPT P10636 1/20 0.33
ASAH1 Q13510 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL1531161 0.84 RAF1 (0.46) LMNARAF1PLA2G7GAABRAF
SCHEMBL38882 0.83 NPSR1 (0.39) LMNAP2RX7ALOX15NPSR1KDM4E
SCHEMBL1531398 0.80 MRGPRX4 (0.40) LMNACYP1A2CYP2C19F2PRSS1
SCHEMBL38481 0.80 NPSR1 (0.37) LMNAP2RX7ALOX15NPSR1KDM4E
SCHEMBL1531155 0.78 NPSR1 (0.39) LMNAALOX15NPSR1PLA2G7GAA
SCHEMBL1531228 0.76 BRAF (0.40) RAF1NPSR1KDM4EPLA2G7GAA
SCHEMBL1531072 0.76 TDP1 (0.37) LMNAALOX15NPSR1GAAMAPT
SCHEMBL1531195 0.76 LMNA (0.48) LMNACYP1A2CYP2C19MAPT
SCHEMBL13406386 0.75 GAA (0.39) RAF1ALOX15NPSR1KDM4EGAA
SCHEMBL1531129 0.75 ASAH1 (0.41) LMNAP2RX7ALOX15NPSR1MAPT

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-3033426-A2 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES BASF Agro B.V. (NL) 2016-06-22 EP disclosed