SCHEMBL29680522

SCHEMBL29680522

CN(C)CCCNCc1cc(-c2nc(Cl)nc3c2ccn3-c2ccccc2)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.34
KDM4E B2RXH2 3/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
RAD52 P43351 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
SLC2A1 P11166 1/20 0.32
APOBEC3A P31941 1/20 0.32
RAB9A P51151 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
FLT3 P36888 1/20 0.32
TOP2A P11388 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 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 SCHEMBL29680432 0.96 KDM4E (0.38) TERTKDM4EPOLBRAD52KMT2A
SCHEMBL29680649 0.84 TMEM97 (0.43) TERTKDM4ECCNA2CDK2POLB
SCHEMBL29680644 0.84 KDM4E (0.35) TERTKDM4ECCNA2CDK2POLB
SCHEMBL29680230 0.82 TMEM97 (0.43) TERTKDM4ECCNA2CDK2POLB
SCHEMBL29680514 0.81 TERT (0.33) TERTKDM4ECCNA2CDK2POLB
SCHEMBL24528699 0.80 KDM4E (0.36) KDM4ELMNAKMT2AALDH1A1
SCHEMBL29680601 0.80 KDM4E (0.36) KDM4ELMNAKMT2AALDH1A1
Oxalic Acid SCHEMBL29680744 0.80 KDM4E (0.41) TERTKDM4ECCNA2CDK2TMEM97
Oxalic Acid SCHEMBL29680737 0.80 KDM4E (0.40) KDM4ELMNARAD52KMT2AGAA
Oxalic Acid SCHEMBL29680659 0.79 ATM (0.41) TERTKDM4ECCNA2CDK2TMEM97

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