SCHEMBL4721750

SCHEMBL4721750

COc1ccc(NCCCO)cc1-n1nc(-c2cc(C)cc(-c3cnco3)c2)c2ccccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
IMPDH2 P12268 5/20 0.36
KDM4E B2RXH2 3/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GHSR Q92847 1/20 0.35
IMPDH1 P20839 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RY1 P47900 1/20 0.34

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
SCHEMBL4722028 0.91 MAPT (0.39) ALDH1A1MAPTIMPDH2USP2HPGD
SCHEMBL4723560 0.90 MAPT (0.39) ALDH1A1MAPTMEN1KMT2AIMPDH2
SCHEMBL4723319 0.90 MAPT (0.39) ALDH1A1MAPTMEN1KMT2AIMPDH2
SCHEMBL4721816 0.89 MAPT (0.38) ALDH1A1MAPTMEN1KMT2AIMPDH2
SCHEMBL4723141 0.88 MAPT (0.39) ALDH1A1MAPTMEN1KMT2AIMPDH2
SCHEMBL4722711 0.87 MAPT (0.37) ALDH1A1MAPTIMPDH2NPSR1P2RY1
SCHEMBL4724113 0.87 MAPT (0.37) ALDH1A1MAPTIMPDH2USP2MAPK1
SCHEMBL4720892 0.86 MAPT (0.36) ALDH1A1MAPTMEN1KMT2AIMPDH2
SCHEMBL4723402 0.85 MAPT (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4719136 0.85 MAPT (0.37) ALDH1A1MAPTMEN1KMT2AIMPDH2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed