SCHEMBL9080401

SCHEMBL9080401

Cn1nc(-c2ccc([N+](=O)[O-])cc2F)c(Cl)c1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
AMY1A P0DUB6 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
CCKBR P32239 1/20 0.34
GABRA3 P34903 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
SCHEMBL7938558 0.83 ATM (0.44) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL7749240 0.83 ESPL1 (0.30)
SCHEMBL8471514 0.82 L3MBTL1 (0.41) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL7891112 0.82 F2 (0.31)
SCHEMBL7746904 0.82 SLC34A1 (0.43)
SCHEMBL6295365 0.82 HSD11B1 (0.36) KMT2AMEN1HTTSMN1; SMN2
SCHEMBL9081380 0.81 SLC34A1 (0.36)
SCHEMBL9081868 0.81 HTT (0.35) KMT2AMAPTLMNAMEN1GAA
SCHEMBL7887336 0.81 MAPT (0.34) MAPT
SCHEMBL8474283 0.80 ESR1 (0.37)

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
WO-1996015115-A1 HERBICIDAL PYRAZOLE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed