SCHEMBL7795491

SCHEMBL7795491

CNC(=O)C(=NOC)C1=C(CON=C(C)c2cccc(C(F)(F)F)c2)CC(C)=C(C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MAOB P27338 1/20 0.36
HIF1A Q16665 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7795487 1.00 KMT2A (0.41) KMT2AMEN1GAAPPARGPPARA
SCHEMBL7788357 0.91 HIF1A (0.42) KMT2AMEN1GAAPPARGPPARA
SCHEMBL7788351 0.91 HIF1A (0.42) KMT2AMEN1GAAPPARGPPARA
SCHEMBL7070313 0.90 PPARG (0.41) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL7788358 0.81 MEN1 (0.41) KMT2AMEN1GAAPPARGPPARA
SCHEMBL23971573 0.80 MEN1 (0.42) KMT2AMEN1GAAPPARGPPARA
SCHEMBL7072848 0.80 KMT2A (0.42) KMT2AMEN1GAAPPARGPPARA
SCHEMBL30401554 0.80 MEN1 (0.42) KMT2AMEN1GAAPPARGPPARA
SCHEMBL7072847 0.80 KMT2A (0.42) KMT2AMEN1GAAPPARGPPARA
SCHEMBL14141835 0.80 HIF1A (0.52) KMT2AMEN1GAAPPARGPPARA

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 2 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