SCHEMBL30780915

SCHEMBL30780915

O=[N+]([O-])c1cccc(NC2CCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
LMNA P02545 4/20 0.61
POLB P06746 3/20 0.61
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
DDX3X O00571 1/20 0.53
HTT P42858 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3475933 0.95 NPC1 (0.67) MAPTLMNAPOLBGAANPC1
SCHEMBL30321478 0.93 NPC1 (0.56) MAPTLMNAPOLBGAANPC1
SCHEMBL8397659 0.93 NPC1 (0.56) MAPTLMNAPOLBGAANPC1
SCHEMBL19675710 0.87 CTSL (0.57) MAPTLMNAPOLBGAANPC1
SCHEMBL3821145 0.86 CTSL (0.61) MAPTLMNAPOLBGAANPC1
SCHEMBL19675959 0.84 NPC1 (0.52) MAPTLMNAPOLBGAANPC1
SCHEMBL1197657 0.84 PKM (0.68) MAPTLMNAPOLBGAANPC1
SCHEMBL15271967 0.83 SMN1; SMN2 (0.53) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL29757387 0.80 MAPT (0.93) MAPTLMNAPOLBGAACTSL
SCHEMBL12485644 0.77 CTSL (0.57) MAPTLMNAPOLBGAANPC1

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
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed