SCHEMBL23198632

SCHEMBL23198632

C=Cn1c(=O)oc2cc([N+](=O)[O-])cnc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
IDO1 P14902 2/20 0.34
KAT2B Q92831 3/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B3 P37058 1/20 0.32
ABHD16A O95870 1/20 0.32
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL23198644 0.77 HPGD (0.38) ALDH1A1HTTMEN1KMT2AHPGD
SCHEMBL23198637 0.77 HSD17B10 (0.38) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL23198630 0.70 IDO1 (0.38) ALDH1A1IDO1KAT2BMAPK1HTT
SCHEMBL3213407 0.63 PSMB8 (0.39) ALDH1A1IDO1KAT2BMAPK1HTT
SCHEMBL26644762 0.61 GLS (0.42) ALDH1A1IDO1MAPK1HTTMAPT
SCHEMBL1979701 0.61 ALDH1A1 (0.46) ALDH1A1IDO1MAPK1HTTMAPT
SCHEMBL25405726 0.61 HTT (0.56) ALDH1A1MAPK1HTTMAPTPOLB
SCHEMBL11313563 0.60 ALDH1A1 (0.41) ALDH1A1IDO1KAT2BMAPK1HTT
SCHEMBL11600740 0.59 CYP2C19 (0.44) ALDH1A1HSD17B3MAPTPOLBCYP2C19
SCHEMBL30349583 0.59 LMNA (0.59) ALDH1A1MAPK1HTTMAPTPOLB

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
EP-3802547-A1 PROCESS FOR PRODUCING COMPOUNDS CONTAINING AN OXAZOLOPYRIDINONE FUNCTIONAL GROUP Biocidal Alternative Solutions (BE) 2021-04-14 EP disclosed