SCHEMBL30837780

SCHEMBL30837780

Cc1cccc2c(=O)n(-c3ccc(F)c(F)c3F)c(=S)[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.69
CA12 O43570 8/20 0.54
CA1 P00915 8/20 0.54
CA2 P00918 8/20 0.54
CA9 Q16790 7/20 0.54
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
PPARG P37231 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NR2E3 Q9Y5X4 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3334533 1.00 PDE7A (0.69) PDE7ACA12CA1CA2CA9
SCHEMBL3336461 0.82 PDE7A (1.00) PDE7ACA12CA1CA2CA9
SCHEMBL30837960 0.82 PDE7A (1.00) PDE7ACA12CA1CA2CA9
SCHEMBL299355 0.79 PDE7A (1.00) PDE7ACA12CA1CA2CA9
SCHEMBL31597447 0.78 PDE7A (0.70) PDE7ACA12CA1CA2CA9
SCHEMBL30837827 0.77 PDE7A (1.00) PDE7ACA12CA1CA2CA9
SCHEMBL844874 0.77 PDE7A (1.00) PDE7ACA12CA1CA2CA9
SCHEMBL31597397 0.76 CA12 (0.70) PDE7ACA12CA1CA2CA9
SCHEMBL31597470 0.72 CA12 (0.65) PDE7ACA12CA1CA2CA9
SCHEMBL29832061 0.71 PDE7A (0.64) PDE7ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572765-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE Mitodicure GmbH (DE) 2025-06-25 EP disclosed
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed