SCHEMBL13614176

SCHEMBL13614176

CCCNC(=O)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GALR1 P47211 1/20 0.43
NAMPT P43490 4/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK14 Q16539 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MLYCD O95822 1/20 0.41
NAAA Q02083 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
POLB P06746 1/20 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
SCHEMBL1303777 0.81 MPO (0.46) KMT2AKDM4EMEN1ALDH1A1GAA
SCHEMBL3691604 0.80 NAAA (0.52) KMT2ADRD2DRD4DRD3MEN1
SCHEMBL22059613 0.77 EPHX2 (0.66) KMT2AMEN1L3MBTL1
SCHEMBL28803614 0.77 XDH (0.68) KMT2AMEN1ALDH1A1NAMPTHPGD
SCHEMBL14430719 0.77 MAPT (0.53) KMT2AALDH1A1NAMPTGAAL3MBTL1
Andolast SCHEMBL166170 0.77 XDH (0.51) KMT2AKDM4EMEN1GAAL3MBTL1
SCHEMBL13918749 0.76 KDM4E (0.70) KMT2AKDM4EDRD2DRD4DRD3
SCHEMBL7432657 0.76 XDH (0.51) KMT2AHPGDL3MBTL1POLB
Andolast SCHEMBL1551317 0.75 XDH (0.50) KMT2AKDM4EMEN1GAAL3MBTL1
Andolast SCHEMBL4134029 0.75 XDH (0.50) KMT2AKDM4EMEN1GAAL3MBTL1

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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed