SCHEMBL7678317

SCHEMBL7678317

O=c1n(-c2ccc(OCC(F)(F)C(F)F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CFTR P13569 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ENPP2 Q13822 1/20 0.38
HTT P42858 2/20 0.37
PKM P14618 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.34
IDO1 P14902 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
SCHEMBL7682361 0.85 HTT (0.38) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7687404 0.85 CFTR (0.47) KMT2ACFTRSMN1; SMN2ALDH1A1ENPP2
SCHEMBL7686964 0.82 HTT (0.39) KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL1259763 0.81 MEN1 (0.48) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3885683 0.80 CFTR (0.54) KMT2ACFTRSMN1; SMN2ALDH1A1HTT
SCHEMBL7680577 0.77 KMT2A (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL7683090 0.75 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL4549471 0.74 MEN1 (0.55) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL8097528 0.72 MAPT (0.41) KMT2ASMN1; SMN2ALDH1A1HTTGAA
SCHEMBL8097580 0.71 MAPT (0.41) KMT2ASMN1; SMN2ALDH1A1HTTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0809640-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-03 EP disclosed
WO-1996025410-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-22 WO disclosed