SCHEMBL29969862

SCHEMBL29969862

NC(=O)c1ccc(N2CCC(c3ccccc3)CC2)c(NC(=O)Nc2ccc3c(c2)OCO3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.55
RAB9A P51151 12/20 0.55
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 2/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL6800041 1.00 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL29968508 0.87 PARP14 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL6797486 0.87 PARP14 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL29968159 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL6698099 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL6799649 0.73 CCR3 (0.55) KDM4EKMT2APOLBGAAMAPT
SCHEMBL29968547 0.73 CCR3 (0.55) KDM4EKMT2APOLBGAAMAPT
SCHEMBL6803523 0.72 MAPT (0.49) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL29968697 0.72 MAPT (0.49) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL12010919 0.70 RAB9A (0.84) NPC1RAB9ASMN1; SMN2KDM4EPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189434-A1 USE OF NADOLOL TO TREAT PULMONARY SYMPTOMS ASSOCIATED WITH INFECTIONS WITH SARS-CoV-2 CHRONIC AIRWAY THERAPEUTICS LIMITED (AU) 2024-09-19 WO disclosed
CN-117999073-A Use of nadolol to treat chronic obstructive pulmonary disease by blocking the inhibitor protein-2 pathway 慢性呼吸道治疗有限公司 2024-05-07 CN disclosed
EP-4304717-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY Chronic Airway Therapeutics Limited (AU) 2024-01-17 EP disclosed
WO-2022192252-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY CHRONIC AIRWAY THERAPEUTICS LIMITED (AU) 2022-09-15 WO disclosed