SCHEMBL29680600

SCHEMBL29680600

CN(C)CCCNCc1ccc(-c2cc(Cl)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TERT O14746 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.36
EGFR P00533 2/20 0.36
ABL1 P00519 1/20 0.36
CDK1 P06493 1/20 0.36
SRC P12931 1/20 0.36
CSK P41240 1/20 0.36
ABL2 P42684 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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 SCHEMBL29680780 0.95 BCHE (0.42) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680649 0.83 TMEM97 (0.43) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680618 0.80 RAD52 (0.40) TMEM97SIGMAR1TERTCCNA2CDK2
Oxalic Acid SCHEMBL29680744 0.80 KDM4E (0.41) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680230 0.80 TMEM97 (0.43) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL24528694 0.79 KDM4E (0.38) SRCKDM4EMAPTMAPK1NPSR1
SCHEMBL29680743 0.79 KDM4E (0.38) SRCKDM4EMAPTMAPK1NPSR1
Oxalic Acid SCHEMBL29680355 0.77 KDM4E (0.41) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680410 0.77 ALDH1A1 (0.42) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680517 0.75 LMNA (0.41) TMEM97SIGMAR1TERTCCNA2CDK2

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