SCHEMBL8402033

SCHEMBL8402033

CC(C)(NC(=O)c1cc(Br)cc(Br)c1)C(=O)C(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDR1 Q08345 1/20 0.35
NOTUM Q6P988 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL8402049 0.90 GPR139 (0.42) MEN1KMT2ADDR1
SCHEMBL8400015 0.84 SMN1; SMN2 (0.54) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL8400032 0.82 GRN (0.46) RAB9AMEN1KMT2A
SCHEMBL8402078 0.76 GRN (0.38) RAB9AMEN1KMT2A
SCHEMBL8403419 0.76 ALDH1A1 (0.54) LMNAHTTALDH1A1RAB9AMEN1
SCHEMBL8403842 0.76 TAS1R3 (0.46) NPC1RAB9ASMN1; SMN2DDR1
SCHEMBL9082843 0.75 HPGD (0.48) LMNAHTTALDH1A1SMN1; SMN2POLB
SCHEMBL8400028 0.75 HPGD (0.49) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL8403994 0.75 HDAC8 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8400004 0.74 TP53BP1 (0.48) LMNAHTTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859063-A Use of certain N-acetonylbenzamides as fungicides ROHM AND HAAS COMPANY (US) 1999-01-12 US disclosed
US-5629346-A LOW TOXICITY ROHM AND HAAS COMPANY (US) 1997-05-13 US disclosed
US-4822902-A LOW PHYTOTOXICITY ROHM AND HAAS COMPANY (US) 1989-04-18 US disclosed
EP-0173453-B1 SUBSTITUTED N-ACETONYLBENZAMIDES AND THEIR USE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1988-07-13 EP disclosed
EP-0173453-A1 Substituted N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1986-03-05 EP disclosed