SCHEMBL9734131

SCHEMBL9734131

OC/C(=C/c1ccccc1Cl)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TRPA1 O75762 1/20 0.41
F2R P25116 1/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.35
NOS2 P35228 1/20 0.35
HDAC3 O15379 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
SCHEMBL9734139 1.00 MAPT (0.48) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL28557804 0.87 MAPT (0.48) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL29966795 0.87 MAPT (0.48) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL5050581 0.87 MAPT (0.48) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL5050582 0.87 MAPT (0.48) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL29966926 0.86 MAPT (0.47) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL9733978 0.86 MAPT (0.47) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL9733987 0.86 MAPT (0.47) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL9668754 0.86 MAPT (0.47) MAPTNPC1RAB9ATRPA1F2R
SCHEMBL4364965 0.79 NFE2L2 (0.46) MAPTNPC1RAB9AGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098917-A And process for killing fungi BASF AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
US-5028618-A Imidazole oxirane compounds BASF AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0352675-A2 Substituted imidazolylmethyloxiranes and substituted imidazolylpropenes, their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1990-01-31 EP disclosed