SCHEMBL5006825

SCHEMBL5006825

O=c1nc(Cc2ccccc2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
EGLN1 Q9GZT9 4/20 0.46
VEGFA P15692 3/20 0.46
MAPK14 Q16539 6/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
S1PR2 O95136 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL29809414 0.70 ACHE (0.59) HTTLMNAMEN1KMT2AEGLN1
SCHEMBL1757848 0.70 ACHE (0.59) HTTLMNAMEN1KMT2AEGLN1
SCHEMBL14771218 0.69 EGLN1 (0.49) HTTLMNAMEN1POLBKMT2A
SCHEMBL4478133 0.68 MAPK14 (0.52) HTTLMNAMEN1POLBKMT2A
SCHEMBL4064145 0.68 MAPK14 (0.47) EGLN1MAPK14DHPS
SCHEMBL24499451 0.67 HTR6 (0.54) HTTLMNAMEN1KMT2AEGLN1
SCHEMBL3186789 0.67 MAPK14 (0.49) HTTLMNAMEN1POLBKMT2A
SCHEMBL27749451 0.67 TLR8 (0.47) HTTLMNAMEN1KMT2AKDM4E
SCHEMBL4249660 0.67 DHPS (0.57) HTTLMNAEGLN1KDM4EALDH1A1
SCHEMBL14900099 0.67 EGLN1 (0.69) HTTLMNAMEN1POLBKMT2A

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-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed