SCHEMBL28852575

SCHEMBL28852575

COC(=O)C=Cc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
HSP90AA1 P07900 2/20 0.48
ATM Q13315 2/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
NLRP1 Q9C000 1/20 0.43
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 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
SCHEMBL23609099 1.00 RAB9A (0.49) RAB9APOLBALDH1A1MAPTLMNA
SCHEMBL2139942 0.84 POLB (0.50) RAB9APOLBALDH1A1MAPTLMNA
SCHEMBL2139944 0.84 POLB (0.50) RAB9APOLBALDH1A1MAPTLMNA
SCHEMBL31742417 0.83 RAB9A (0.49) RAB9APOLBALDH1A1MAPTLMNA
SCHEMBL29972895 0.82 MAPT (0.58) RAB9APOLBALDH1A1MAPTLMNA
SCHEMBL23609809 0.81 ALDH1A1 (0.48) RAB9AALDH1A1MAPTLMNAHSP90AA1
SCHEMBL29974565 0.81 ALDH1A1 (0.48) RAB9AALDH1A1MAPTLMNAHSP90AA1
SCHEMBL7709283 0.77 MAPT (0.46) RAB9APOLBALDH1A1MAPTLMNA
SCHEMBL7709281 0.77 MAPT (0.46) RAB9APOLBALDH1A1MAPTLMNA
SCHEMBL6677087 0.77 MEN1 (0.71) RAB9APOLBALDH1A1MAPTLMNA

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-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed