SCHEMBL4370489

SCHEMBL4370489

COc1cc2c(=O)c(C(=O)OF)cn(C3CC3)c2cc1N1CC[C@@H](CN(CCN(C)C)C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
PIK3CG P48736 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
KCNH2 Q12809 2/20 0.35
KDM1A O60341 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
CYP1A2 P05177 1/20 0.34
TOP2A P11388 1/20 0.34
CYP2C9 P11712 1/20 0.34
TOP2B Q02880 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
IL1B P01584 1/20 0.32

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
SCHEMBL1155038 0.76 KCNH2 (0.64) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5006578 0.66 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30306078 0.66 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16546848 0.66 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16546845 0.66 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1154906 0.64 KCNH2 (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL13923335 0.64 KDM4E (0.80) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9728544 0.64 ADRB2 (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL22381272 0.64 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10812406 0.63 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10

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-2009064792-A1 QUINOLONE CARBOXYLIC ACID-SUBSTITUTED RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2009-05-22 WO disclosed