SCHEMBL31414540

SCHEMBL31414540

C=CCCNC(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
OGG1 O15527 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
HSP90AA1 P07900 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 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
SCHEMBL29123079 0.83 CYP1A2 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1NFKB1
SCHEMBL28804019 0.82 SMN1; SMN2 (0.69) SMN1; SMN2OGG1NPC1RAB9AHPGD
SCHEMBL8007465 0.82 LMNA (0.60) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL29122556 0.80 EPHX2 (0.50) ALDH1A1
SCHEMBL4347910 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL29122533 0.79 PKM (0.72) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL1665183 0.78 OGG1 (0.59) SMN1; SMN2OGG1NPC1RAB9AHSP90AA1
SCHEMBL9490115 0.78 HSP90AA1 (0.71) SMN1; SMN2OGG1NPC1RAB9AHSP90AA1
SCHEMBL4907648 0.78 NPC1 (0.57) SMN1; SMN2OGG1NPC1RAB9AHSP90AA1
SCHEMBL24185290 0.77 OGG1 (0.57) SMN1; SMN2OGG1NPC1RAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed