SCHEMBL28028223

SCHEMBL28028223

O=CC(=O)c1c2ccccc2cn1CCn1cncn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.40
EGLN3 Q9H6Z9 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.36
CYP19A1 P11511 5/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL28028228 0.82 LMNA (0.37) KMT2AHTTMAPK1KDM4EALDH1A1
SCHEMBL27795769 0.79 CYP19A1 (0.36) CYP19A1
SCHEMBL27926249 0.77 PTPN1 (0.34) MAPK1ALDH1A1
SCHEMBL27997552 0.75 CREBBP (0.38) MAPK1KDM4EALDH1A1TSHRLMNA
SCHEMBL27670405 0.75 CNR2 (0.34)
SCHEMBL27951823 0.75 CNR2 (0.41)
SCHEMBL28826410 0.74 CNR2 (0.43)
SCHEMBL27799440 0.74 CNR2 (0.37)
SCHEMBL28028232 0.73 CNR1 (0.46) KMT2AHSD17B10MAPTKDM4EALDH1A1
SCHEMBL27937758 0.73 HSD17B10 (0.33) HTTHSD17B10MAPTMAPK1KDM4E

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
CN-104884426-A Cinnamide derivative NIPPON ZOKI PHARMACEUCTICAL CO LTD 2015-09-02 CN disclosed