SCHEMBL29033877

SCHEMBL29033877

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(O)cc3)[nH]n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.65
ACHE P22303 1/20 0.65
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
ACR P10323 2/20 0.54
XDH P47989 1/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
MCL1 Q07820 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DEGS1 O15121 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR1I2 O75469 1/20 0.47

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
SCHEMBL20764249 0.86 ACR (0.69) MAPTACRKMT2AMEN1
SCHEMBL29033879 0.84 MEN1 (0.57) BCHEACHENPC1RAB9AMAPT
SCHEMBL20764122 0.84 NPC1 (0.52) BCHEACHENPC1RAB9AMAPT
SCHEMBL9048096 0.83 KMT2A (0.64) NPC1RAB9AMAPTKMT2AMEN1
Bromide SCHEMBL31659833 0.82 KMT2A (0.62) NPC1RAB9AMAPTKMT2AMEN1
Bromide SCHEMBL26095595 0.82 KMT2A (0.62) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL28301249 0.81 BCHE (0.72) BCHEACHENPC1RAB9AMAPT
SCHEMBL25308935 0.81 MAPT (0.67) BCHEACHENPC1RAB9AMAPT
SCHEMBL20764247 0.79 ACR (0.74) MAPTACR
SCHEMBL2409003 0.79 NPC1 (0.67) NPC1RAB9AKMT2AMEN1TDP1

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-114394934-B Pyrazole benzamide compound as well as preparation method and application thereof 苏州大学 2023-06-13 CN disclosed