SCHEMBL4364501

SCHEMBL4364501

CCOc1cc(-c2cc3ccccc3[nH]2)[nH]c1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.49
KDM4E B2RXH2 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2A6 P11509 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 4/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40

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
SCHEMBL229716 0.85 EZH2 (0.59) EZH2KDM4ERAB9AMAPTALDH1A1
SCHEMBL7581044 0.79 CDK2 (0.42) KDM4ERAB9AMAPTALDH1A1KMT2A
SCHEMBL4364499 0.77 PDGFRB (0.44) KDM4EMAPTKMT2AMEN1CYP2A6
SCHEMBL7581053 0.76 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL10799120 0.73 RAB9A (0.54) KDM4ERAB9AMAPTALDH1A1KMT2A
SCHEMBL27996514 0.72 KDM4E (0.56) KDM4ERAB9AMAPTALDH1A1KMT2A
SCHEMBL11654524 0.71 MAPT (0.51) KDM4ERAB9AMAPTALDH1A1KMT2A
Acetone SCHEMBL11664776 0.71 MAPT (0.48) KDM4ERAB9AMAPTALDH1A1KMT2A
SCHEMBL11654006 0.70 MAPT (0.57) EZH2KDM4ERAB9AMAPTALDH1A1
SCHEMBL7916199 0.70 ALDH1A1 (0.47) KDM4ERAB9AMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853255-A4 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X PHARMACEUTICALS CANADA (CA) 2009-07-08 EP disclosed
EP-1853255-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS Gemin X Biotechnologies Inc. (CA) 2007-11-14 EP disclosed
WO-2006089397-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-08-31 WO disclosed