SCHEMBL5745805

SCHEMBL5745805

CC(C)(C)OC(=O)NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.41
RHOA P61586 1/20 0.41

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
SCHEMBL192554 0.95 ABL1 (0.49) ABL1RIN1KMT2AALDH1A1POLB
SCHEMBL193173 0.95 ABL1 (0.49) ABL1RIN1KMT2AALDH1A1POLB
SCHEMBL193737 0.85 GLA (0.55) KMT2AALDH1A1POLBEPHX2SMN1; SMN2
SCHEMBL193105 0.85 GLA (0.55) KMT2AALDH1A1POLBEPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL192965 0.84 GLA (0.54) KMT2AALDH1A1POLBEPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL192966 0.84 GLA (0.54) KMT2AALDH1A1POLBEPHX2SMN1; SMN2
SCHEMBL192954 0.79 KMT2A (0.64) KMT2AALDH1A1POLBEPHX2MEN1
SCHEMBL4676318 0.76 ALDH1A1 (0.46) ABL1RIN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5744176 0.76 ALDH1A1 (0.46) ABL1RIN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27670399 0.75 EPHX2 (0.54) KMT2AALDH1A1POLBEPHX2MEN1

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-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO disclosed