SCHEMBL7788337

SCHEMBL7788337

C#CCO/N=C(\C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
CES2 O00748 2/20 0.43
POLB P06746 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.39
TBXA2R P21731 1/20 0.38

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
SCHEMBL7788342 1.00 KMT2A (0.49) KMT2AMEN1GAANPSR1CES2
SCHEMBL26716488 0.83 KMT2A (0.57) KMT2AMEN1GAANPSR1CES2
SCHEMBL8611093 0.78 KMT2A (0.56) KMT2AMEN1GAANPSR1CES2
SCHEMBL6819739 0.78 KMT2A (0.57) KMT2AMEN1GAANPSR1CES2
SCHEMBL29778306 0.78 KMT2A (0.57) KMT2AMEN1GAANPSR1CES2
SCHEMBL6819302 0.78 KMT2A (0.57) KMT2AMEN1GAANPSR1CES2
SCHEMBL15101535 0.77 KMT2A (0.56) KMT2AMEN1GAANPSR1CES2
SCHEMBL7183895 0.77 KMT2A (0.56) KMT2AMEN1GAANPSR1CES2
SCHEMBL7795045 0.76 KMT2A (0.45) KMT2AMEN1GAANPSR1CES2
SCHEMBL7795047 0.76 KMT2A (0.45) KMT2AMEN1GAANPSR1CES2

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
EP-0912499-B1 PESTICIDES BAYER AG (DE) 2001-12-12 EP disclosed
US-6288071-B1 FUNGICIDES, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
EP-0912499-A1 PESTICIDES Novartis AG (CH) 1999-05-06 EP disclosed
WO-1997047592-A1 PESTICIDES NOVARTIS AG (CH) 1997-12-18 WO disclosed