SCHEMBL29680644

SCHEMBL29680644

CN(C)CCCNCc1ccc(-c2nc(Cl)nc3c2ccn3-c2ccccc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
RAD52 P43351 4/20 0.34
TERT O14746 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 1/20 0.33
SLC2A1 P11166 1/20 0.33
APOBEC3A P31941 1/20 0.33
RAB9A P51151 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TOP2A P11388 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
LMNA P02545 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
Oxalic Acid SCHEMBL29680737 0.96 KDM4E (0.40) KDM4ERAD52KMT2AHDAC3HDAC1
SCHEMBL29680572 0.85 LMNA (0.36) KDM4ERAD52TERTPOLBTMEM97
SCHEMBL29680522 0.84 TERT (0.34) KDM4ERAD52TERTKMT2APOLB
SCHEMBL29680649 0.82 TMEM97 (0.43) KDM4ERAD52TERTKMT2APOLB
Oxalic Acid SCHEMBL29680385 0.82 KDM4E (0.37) KDM4ERAD52TERTKMT2AHDAC3
SCHEMBL29680286 0.81 TERT (0.35) KDM4ERAD52TERTPOLBTMEM97
SCHEMBL29680514 0.81 TERT (0.33) KDM4ERAD52TERTKMT2APOLB
Oxalic Acid SCHEMBL29680432 0.80 KDM4E (0.38) KDM4ERAD52TERTKMT2APOLB
SCHEMBL29680230 0.80 TMEM97 (0.43) KDM4ERAD52TERTKMT2APOLB
SCHEMBL24528692 0.79 KDM4E (0.37) KDM4EKMT2ALMNA

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