SCHEMBL8979300

SCHEMBL8979300

O=C(NC(=O)c1cccc(F)c1F)Nc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
CNR1 P21554 6/20 0.49
TDP1 Q9NUW8 2/20 0.48
PYGL P06737 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PPIA P62937 1/20 0.47
GCGR P47871 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
CES2 O00748 1/20 0.45
BCHE P06276 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 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
Dimethylamine SCHEMBL9686168 0.84 NPC1 (0.65) NPC1RAB9ACNR1TDP1KMT2A
Diflubenzuron SCHEMBL18837607 0.84 RAB9A (0.59) NPC1RAB9ACNR1KMT2AMEN1
Diflubenzuron SCHEMBL42416 0.84 RAB9A (0.59) NPC1RAB9ACNR1KMT2AMEN1
SCHEMBL9324631 0.81 RAB9A (0.57) NPC1RAB9ACNR1KMT2AMEN1
SCHEMBL10711203 0.80 RAB9A (0.56) NPC1RAB9ACNR1KMT2AMEN1
Diflubenzuron SCHEMBL8729691 0.80 NPC1 (0.56) NPC1RAB9ACNR1KMT2AMEN1
Chlorbenzuron SCHEMBL5177776 0.79 GCGR (0.68) NPC1RAB9ATDP1PYGLKMT2A
SCHEMBL9686167 0.79 RAB9A (0.54) NPC1RAB9ACNR1PYGLKMT2A
Diflubenzuron SCHEMBL28169066 0.79 NPC1 (0.54) NPC1RAB9ACNR1KMT2AMEN1
SCHEMBL11557775 0.78 RAB9A (0.56) NPC1RAB9ACNR1TDP1PYGL

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
US-5516529-A Granulates useful for preparing effervescent pesticide tablets CIBA-GEIGY CORPORATION 1996-05-14 US disclosed