SCHEMBL8858784

SCHEMBL8858784

C/C=C/C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.73
EPHX2 P34913 5/20 0.63
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.54
TRPV1 Q8NER1 3/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FAAH O00519 1/20 0.50
NAMPT P43490 1/20 0.50

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
SCHEMBL8858788 1.00 KMT2A (0.73) KMT2AEPHX2CA12CA1CA2
SCHEMBL13101441 0.82 KMT2A (0.70) KMT2AEPHX2CA12CA1CA2
SCHEMBL27767000 0.82 KMT2A (0.69) KMT2AEPHX2CA12CA1CA2
SCHEMBL2090980 0.81 KMT2A (0.64) KMT2AEPHX2CA12CA1CA2
SCHEMBL30459766 0.81 KMT2A (0.68) KMT2AEPHX2CA12CA1CA2
SCHEMBL24262378 0.80 MTNR1A (0.71) KMT2ACA12CA1CA2CA9
SCHEMBL19280682 0.79 TGM2 (0.65) KMT2AEPHX2CA12CA1CA2
SCHEMBL16742068 0.79 TGM2 (0.65) KMT2AEPHX2CA12CA1CA2
SCHEMBL8858450 0.79 KMT2A (0.72) KMT2AEPHX2CA12CA1CA2
SCHEMBL4644758 0.79 KMT2A (0.68) KMT2AEPHX2CA12CA1CA2

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
US-5608109-A AGRICULTURAL AND HORTICULTURAL INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 1997-03-04 US disclosed
EP-0657421-A1 Hydrazine derivatives and their use as insecticides NIHON NOHYAKU CO., LTD. (JP) 1995-06-14 EP disclosed