SCHEMBL31661799

SCHEMBL31661799

O=C(NCCOCCO)c1ccccc1Br

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.62
HTT P42858 2/20 0.62
NLRP3 Q96P20 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
P2RX7 Q99572 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL5657924 1.00 HPGD (0.62) HPGDHTTNLRP3SMN1; SMN2SIGMAR1
SCHEMBL18235578 0.89 SMN1; SMN2 (0.59) HPGDHTTSMN1; SMN2MAPTRAB9A
SCHEMBL5657977 0.83 MEN1 (0.58) HPGDHTTSMN1; SMN2MAPTRAB9A
SCHEMBL5657148 0.82 SMN1; SMN2 (0.51) HPGDHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL31661721 0.82 SMN1; SMN2 (0.51) HPGDHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5655209 0.82 NPC1 (0.65) HPGDSMN1; SMN2SIGMAR1RAB9APOLB
SCHEMBL13162943 0.82 NPC1 (0.59) HPGDHTTSMN1; SMN2MAPTRAB9A
SCHEMBL7678490 0.82 ALDH1A1 (0.59) HPGDHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL13299189 0.82 SMN1; SMN2 (0.51) HPGDSMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL21299247 0.79 SMN1; SMN2 (0.49) HPGDHTTSMN1; SMN2RAB9AALDH1A1

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
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO claimed
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed