SCHEMBL29680480

SCHEMBL29680480

CCC(CCNCc1ccc(-c2nc(-c3ccc(CNCCC(CC)N(C)C)cc3)c3ccn(-c4ccccc4)c3n2)cc1)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.32
LSS P48449 1/20 0.31
LMNA P02545 3/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
ENPP1 P22413 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 2/20 0.31
PDE4B Q07343 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 3/20 0.30

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
SCHEMBL29680755 0.97 ABL1 (0.33) TDP2LMNAHPGDUSP2CYP1A2
Oxalic Acid SCHEMBL29680387 0.96 KDM4E (0.37) TDP2LMNAHPGDUSP2CYP1A2
Oxalic Acid SCHEMBL29680919 0.93 KDM4E (0.35) LMNAHPGDUSP2CYP1A2CYP3A4
SCHEMBL29680525 0.91 ENPP1 (0.32) TDP2ENPP1
SCHEMBL29680538 0.89 LSS (0.32) TDP2LSSLMNAHPGDUSP2
Oxalic Acid SCHEMBL29680467 0.87 KDM4E (0.36) TDP2LMNAHPGDUSP2CYP1A2
SCHEMBL29680662 0.86 HDAC1 (0.33) LSSLMNAHPGDUSP2CYP1A2
SCHEMBL29680879 0.85 TDP2 (0.32) TDP2LMNAALDH1A1HTTPDE4B
Oxalic Acid SCHEMBL29680606 0.85 KDM4E (0.36) TDP2LMNAHPGDUSP2CYP1A2
SCHEMBL29680618 0.83 RAD52 (0.40) LSSLMNAHPGDTSHRALDH1A1

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