SCHEMBL29680879

SCHEMBL29680879

CCN(CC)C(C)CCNCc1ccc(-c2nc(-c3ccc(CNCCC(C)N(CC)CC)cc3)c3ccn(-c4ccccc4)c3n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.32
HDAC1 Q13547 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
PDE4B Q07343 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
Oxalic Acid SCHEMBL29680389 0.96 KDM4E (0.37) TDP2HDAC1ALDH1A1LMNAHTT
SCHEMBL29680538 0.91 LSS (0.32) TDP2HDAC1ALDH1A1LMNAHTT
SCHEMBL29680662 0.88 HDAC1 (0.33) HDAC1ALDH1A1LMNAHTTPDE4B
Oxalic Acid SCHEMBL29680606 0.86 KDM4E (0.36) TDP2HDAC1ALDH1A1LMNAHTT
SCHEMBL29680525 0.85 ENPP1 (0.32) TDP2HDAC1
SCHEMBL29680480 0.85 TDP2 (0.32) TDP2ALDH1A1LMNAHTTPDE4B
Oxalic Acid SCHEMBL29680298 0.84 HDAC1 (0.36) HDAC1ALDH1A1LMNAHTTPDE4B
SCHEMBL29680755 0.83 ABL1 (0.33) TDP2HDAC1LMNAPDE4B
SCHEMBL29680379 0.81 AKT1 (0.37) TDP2HTTPDE4BNPSR1KDM4E
SCHEMBL29680618 0.81 RAD52 (0.40) ALDH1A1LMNAMAPK1KDM4E

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
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP claimed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO claimed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed