SCHEMBL5879790

SCHEMBL5879790

O=c1[nH]c2ccccc2c(=O)c2cscc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
LMNA P02545 2/20 0.61
GLA P06280 2/20 0.61
HTT P42858 2/20 0.61
HPGD P15428 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PARP1 P09874 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TNKS O95271 2/20 0.57
TNKS2 Q9H2K2 2/20 0.57
CYP1A2 P05177 1/20 0.57
GPR3 P46089 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
PARP15 Q460N3 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL30273124 0.89 PARP1 (0.67) KDM4EALDH1A1GAALMNAGLA
SCHEMBL3224273 0.82 PARP1 (0.75) KDM4EALDH1A1GAALMNAGLA
SCHEMBL5879665 0.80 KDM4E (0.34) KDM4EALDH1A1GAALMNAGLA
Acridone SCHEMBL11519726 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAGLA
Acridone SCHEMBL29360611 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAGLA
Acridone SCHEMBL29641306 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAGLA
Acridone SCHEMBL19289 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAGLA
Acridone SCHEMBL11523430 0.75 ALDH1A1 (0.95) KDM4EALDH1A1GAALMNAGLA
Acridone SCHEMBL28200023 0.75 ALDH1A1 (0.95) KDM4EALDH1A1GAALMNAGLA
Acridone SCHEMBL3420574 0.75 ALDH1A1 (0.95) KDM4EALDH1A1GAALMNAGLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed