SCHEMBL28357516

SCHEMBL28357516

Cn1nc(NC(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPV1 Q8NER1 6/20 0.48
MTOR P42345 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
KDR P35968 2/20 0.47
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
NAMPT P43490 1/20 0.47
PTGER4 P35408 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL20520417 0.85 KDR (0.54) MAPTALDH1A1TRPV1NPC1RAB9A
SCHEMBL20520505 0.85 KDR (0.51) MAPTMEN1ALDH1A1KMT2ATRPV1
SCHEMBL20520422 0.84 KDR (0.51) MAPTMEN1ALDH1A1KMT2ATRPV1
SCHEMBL20520456 0.80 KDR (0.47) MAPTALDH1A1TRPV1NPC1RAB9A
SCHEMBL28361137 0.79 MAPT (0.58) MAPTMEN1KMT2ATRPV1PTGER4
SCHEMBL17680695 0.72 KDM4E (0.50) MAPTMEN1ALDH1A1KMT2AKDR
SCHEMBL30725951 0.72 MAPT (0.48) MAPTPTGER4
SCHEMBL12473485 0.72 CHEK1 (0.49) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL31593542 0.71 MAPT (0.49) MAPTTRPV1MTORNAMPT
SCHEMBL4517770 0.71 TRPV1 (0.75) MEN1KMT2ATRPV1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110506038-A PESTICIDAL COMPOUNDS BASF SE 2019-11-26 CN disclosed