SCHEMBL30454502

SCHEMBL30454502

O=[N+]([O-])c1nc(Br)ccc1OCCCBr

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 16/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL1810729 1.00 S1PR4 (0.51) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1812248 0.92 S1PR4 (0.52) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10292640 0.87 S1PR4 (0.56) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30365901 0.79 NPC1 (0.49) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2921634 0.78 ALDH1A1 (0.47) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2921638 0.78 ALDH1A1 (0.47) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18952542 0.78 S1PR4 (0.50) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23851490 0.77 S1PR4 (0.59) S1PR4NPC1RAB9AMAPTLMNA
SCHEMBL2673898 0.77 NPC1 (0.60) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18952588 0.77 S1PR4 (0.49) S1PR4NPC1RAB9ASMN1; SMN2MAPT

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
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed