SCHEMBL9835752

SCHEMBL9835752

O=C(Cl)Nc1ccc(Br)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9836471 0.82 MAPK1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL20560335 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL20560682 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL31236186 0.80 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6823604 0.80 KIF11 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1801329 0.80 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31236185 0.80 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL30499697 0.80 KIF11 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10603799 0.79 NPC1 (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL30613082 0.79 NPC1 (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed