SCHEMBL8400002

SCHEMBL8400002

CC(C)(NC(=O)c1cccc(CBr)c1)C(=O)C(Br)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 2/20 0.40
SLC7A5 Q01650 1/20 0.39
POLB P06746 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KAT6A Q92794 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL8403994 0.82 HDAC8 (0.53) POLBKMT2ANPC1RAB9AMAPT
SCHEMBL8400015 0.82 SMN1; SMN2 (0.54) LMNAPOLBGAAKMT2AALDH1A1
SCHEMBL8400004 0.81 TP53BP1 (0.48) LMNAPOLBGAAKMT2AHSD17B10
SCHEMBL8400192 0.77 GSK3B (0.57) GAAKAT6AALDH1A1
SCHEMBL8403984 0.76 CA2 (0.48) LMNAGAAKMT2AHSD17B10KAT6A
SCHEMBL14541727 0.75 SLC7A5 (0.59) MRGPRX4SLC7A5KMT2ALOXL2MEN1
SCHEMBL30240826 0.75 SLC7A5 (0.59) MRGPRX4SLC7A5KMT2ALOXL2MEN1
SCHEMBL8400113 0.74 SLC6A2 (0.48) POLBKMT2AALDH1A1HPGDNPC1
SCHEMBL8400028 0.73 HPGD (0.49) POLBKMT2AHPGDHTTNPC1
SCHEMBL9010830 0.72 HDAC1 (0.51) LMNAKMT2AALDH1A1NPC1RAB9A

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