SCHEMBL24937313

SCHEMBL24937313

O=C(Nc1nc(COC2CC2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SCN3A Q9NY46 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CNR2 P34972 2/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL24434622 0.87 SMN1; SMN2 (0.43) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24435068 0.84 CNR2 (0.41) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24434682 0.83 SMN1; SMN2 (0.46) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24435120 0.83 AOC3 (0.45) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24434602 0.83 CNR2 (0.41) NPC1RAB9ASCN3ASMN1; SMN2POLB
SCHEMBL24434817 0.82 SCD (0.47) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24434744 0.82 CSNK2A1 (0.47) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24434536 0.82 SCN3A (0.48) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24434786 0.82 ADORA1 (0.47) NPC1RAB9ALMNAHTTMEN1
SCHEMBL24434913 0.81 SMN1; SMN2 (0.43) NPC1RAB9ALMNAHTTMEN1

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-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed