SCHEMBL29680544

SCHEMBL29680544

CN(C)CCCN=Cc1ccc(-c2nc(-c3ccc(C=NCCCN(C)C)s3)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL24528618 1.00 ALDH1A1 (0.34) ALDH1A1LMNAKDM4E
SCHEMBL24528678 0.93 ALDH1A1 (0.35) ALDH1A1LMNAKDM4E
SCHEMBL29680685 0.93 ALDH1A1 (0.35) ALDH1A1LMNAKDM4E
SCHEMBL29680746 0.90 KDM4E (0.37) ALDH1A1LMNAKDM4E
SCHEMBL24528512 0.90 KDM4E (0.37) ALDH1A1LMNAKDM4E
SCHEMBL24528683 0.88 ALDH1A1 (0.33) ALDH1A1LMNAKDM4E
SCHEMBL24528695 0.87 KDM4E (0.34) ALDH1A1LMNAKDM4E
SCHEMBL24528677 0.86 KDM4E (0.34) ALDH1A1LMNAKDM4E
SCHEMBL24528596 0.86 KDM4E (0.37) ALDH1A1LMNAKDM4E
SCHEMBL29681045 0.86 KDM4E (0.37) ALDH1A1LMNAKDM4E

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 2 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 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