SCHEMBL26568488

SCHEMBL26568488

O=C(I)CNC(=O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSP90AA1 P07900 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GSK3B P49841 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL8907760 0.82 KDM4E (0.67) OGG1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL16898615 0.82 OGG1 (0.63) OGG1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL25316335 0.81 OGG1 (0.57) OGG1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL4928682 0.81 MMP1 (0.61) OGG1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL14290328 0.80 GAA (0.69) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL14045867 0.77 OGG1 (0.56) OGG1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL11358225 0.76 OGG1 (0.61) OGG1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL4764424 0.76 OGG1 (0.61) OGG1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16904013 0.76 OGG1 (0.55) OGG1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL6202193 0.75 KMT2A (0.55) OGG1ALDH1A1KMT2AMEN1NFKB1

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
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed