SCHEMBL29024929

SCHEMBL29024929

O=C(Nc1ccc2ncccc2c1)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 7/20 0.57
BAZ1A Q9NRL2 2/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HSP90AA1 P07900 1/20 0.56
PKM P14618 1/20 0.56
PAX8 Q06710 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PABPC1 P11940 1/20 0.55
HTT P42858 2/20 0.55
F10 P00742 1/20 0.55
PLAU P00749 1/20 0.55
PLAT P00750 1/20 0.55
POLB P06746 3/20 0.54
TNF P01375 1/20 0.54
LMNA P02545 1/20 0.54
POLA1 P09884 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL30503654 1.00 NPC1 (0.57) NPC1RAB9ABAZ1AMAPTMEN1
SCHEMBL29024742 0.83 NPC1 (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30503637 0.83 NPC1 (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL29024932 0.81 NPC1 (0.80) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30503661 0.81 NPC1 (0.80) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL5657895 0.81 NPC1 (0.74) NPC1RAB9ABAZ1AMAPTMEN1
SCHEMBL29024930 0.79 MEN1 (0.58) NPC1MAPTMEN1KMT2AHSP90AA1
SCHEMBL29024921 0.79 MAPT (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30503668 0.79 NPC1 (0.71) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL29024918 0.79 NPC1 (0.71) NPC1RAB9AMAPTMEN1KMT2A

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-116354879-A Benzamide derivative and application thereof 中国药科大学 2023-06-30 CN disclosed