SCHEMBL29192559

SCHEMBL29192559

CS(=O)(=O)c1ccc2cncc(NC(C#N)CN)c2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.33
ALDH1A1 P00352 1/20 0.33
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LGMN Q99538 4/20 0.32
CTSC P53634 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MAPK8 P45983 5/20 0.32
MAPK9 P45984 5/20 0.32
PDE4B Q07343 2/20 0.32
MAPK10 P53779 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL29192491 0.84 LGMN (0.36) LRRK2ALDH1A1NQO2MTNR1AMTNR1B
SCHEMBL29192415 0.79 ACACB (0.34) ALDH1A1NQO2MTNR1AMTNR1BLGMN
SCHEMBL30358841 0.79 PDE4B (0.39) ALDH1A1MAPK8MAPK9PDE4BMAPK10
SCHEMBL29192576 0.76 ADRA2A (0.43) ALDH1A1CTSC
Hydrochloric Acid SCHEMBL29192572 0.75 ADRA2A (0.42) ALDH1A1CTSC
SCHEMBL30032674 0.69 G6PD (0.45) ALDH1A1NQO2MTNR1AMTNR1BCCNC
SCHEMBL29192477 0.69 G6PD (0.45) ALDH1A1NQO2MTNR1AMTNR1BCCNC
SCHEMBL17437243 0.66 LMNA (0.42) LRRK2ALDH1A1CCNCCDK8
SCHEMBL29192548 0.66 CCNC (0.40) NQO2MTNR1AMTNR1BCCNCCDK8
SCHEMBL31464840 0.65 GPR119 (0.38) ALDH1A1NQO2MTNR1AMTNR1BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
CN-117651699-A Compounds and compositions for the treatment of coronavirus related diseases 诺华股份有限公司 2024-03-05 CN disclosed
WO-2023002409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2023-01-26 WO disclosed