SCHEMBL23198630

SCHEMBL23198630

O=c1oc2cc(Br)cnc2n1CCl.O=c1oc2cc([N+](=O)[O-])cnc2n1CCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
KAT2B Q92831 1/20 0.36
NPC1 O15118 2/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17418888 0.73 PDE4B (0.43) NPC1KMT2AALDH1A1HPGDLMNA
SCHEMBL11755747 0.73 HPGD (0.39) IDO1KMT2AALDH1A1HPGDLMNA
SCHEMBL7316292 0.70 NPC1 (0.63) IDO1NPC1ALDH1A1HPGDLMNA
SCHEMBL23198632 0.70 ALDH1A1 (0.34) IDO1KAT2BKMT2AALDH1A1HPGD
SCHEMBL8918642 0.70 ALDH1A1 (0.36) NPC1KMT2AALDH1A1HPGDLMNA
SCHEMBL8918139 0.68 HSD17B10 (0.38) NPC1KMT2AALDH1A1HPGDTSHR
SCHEMBL7328412 0.67 HSD17B10 (0.53) NPC1KMT2AALDH1A1HPGDLMNA
SCHEMBL8626898 0.66 TSHR (0.56) IDO1NPC1KMT2AALDH1A1LMNA
SCHEMBL32686762 0.65 PDE4B (0.38) NPC1KMT2AALDH1A1HPGDLMNA
SCHEMBL8919804 0.65 LMNA (0.42) IDO1NPC1KMT2AALDH1A1LMNA

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