SCHEMBL6650698

SCHEMBL6650698

CC(=O)OCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.74
GAA P10253 11/20 0.74
MAPT P10636 10/20 0.74
ALDH1A1 P00352 9/20 0.74
HPGD P15428 7/20 0.74
KMT2A Q03164 7/20 0.74
GLA P06280 6/20 0.74
STAT6 P42226 1/20 0.74
HIF1A Q16665 1/20 0.74
HTT P42858 4/20 0.70
APAF1 O14727 3/20 0.70
LMNA P02545 2/20 0.70
NOD2 Q9HC29 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 2/20 0.68
NPSR1 Q6W5P4 2/20 0.64
ATM Q13315 1/20 0.64
TDP1 Q9NUW8 2/20 0.53
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49

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
SCHEMBL6652217 0.86 KDM4E (0.81) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6311488 0.83 KDM4E (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6653844 0.82 KDM4E (0.81) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6311835 0.81 KDM4E (0.80) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6649614 0.81 KDM4E (0.91) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6311878 0.81 KDM4E (0.91) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6313739 0.81 KDM4E (0.64) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6312129 0.80 KDM4E (0.64) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6312748 0.78 KDM4E (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6650582 0.78 KDM4E (0.74) KDM4EGAAMAPTALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487836-A1 ETHANE-1,2-DIAMINO-BIS (2R)-2-BROMO-3-PHENYLPROPANOATE], METHOD FOR PRODUCTION AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2004-12-22 EP claimed
WO-2003078434-A1 ETHANE-1,2-DIAMINO-BIS[(2R)-2-BROMO-3-PHENYLPROPANOATE], METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-25 WO claimed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed