SCHEMBL5823372

SCHEMBL5823372

COc1ccccc1-c1cc2cc(C3=CCN(CCN(C)C(=O)O)C3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCB1 P08183 6/20 0.41
CCNT1 O60563 5/20 0.39
CDK9 P50750 5/20 0.39
FFAR1 O14842 1/20 0.39
CHEK1 O14757 1/20 0.37
F10 P00742 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37

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
SCHEMBL5822824 0.92 CCNT1 (0.45) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5950685 0.89 KDM4E (0.39) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5820234 0.85 KDM4E (0.40) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5821981 0.81 HTR1A (0.42) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5821626 0.81 CCNT1 (0.42) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5821984 0.81 HTR1A (0.42) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5816276 0.81 KDM4E (0.50) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5824183 0.79 CCNT1 (0.39) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5950590 0.75 CDK9 (0.38) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5822413 0.75 ABCB1 (0.52) KDM4EMEN1ALDH1A1MAPTHPGD

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
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed