SCHEMBL29680286

SCHEMBL29680286

CN(C)CCCNCc1ccc(-c2nc(-c3ccc(CNCCCN(C)C)s3)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RAD52 P43351 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN9A Q15858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NUDT1 P36639 1/20 0.32
F7 P08709 1/20 0.31
F3 P13726 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 SCHEMBL29680483 0.96 KDM4E (0.37) TERTCCNA2CDK2RAD52KDM4E
SCHEMBL29680572 0.93 LMNA (0.36) TERTCCNA2CDK2TMEM97SIGMAR1
Oxalic Acid SCHEMBL29680385 0.90 KDM4E (0.37) TERTCCNA2CDK2LMNATSHR
SCHEMBL29680618 0.88 RAD52 (0.40) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL29680410 0.85 ALDH1A1 (0.42) TERTCCNA2CDK2TMEM97SIGMAR1
Oxalic Acid SCHEMBL29680355 0.84 KDM4E (0.41) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL29680517 0.84 LMNA (0.41) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL29680649 0.82 TMEM97 (0.43) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL29680644 0.81 KDM4E (0.35) TERTCCNA2CDK2TMEM97SIGMAR1
Oxalic Acid SCHEMBL29680335 0.81 TERT (0.38) TERTCCNA2CDK2LMNATSHR

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