SCHEMBL4966934

SCHEMBL4966934

[CH2]C(C)C1=CCNC(C(=O)OCC)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALOX12 P18054 1/20 0.31

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
Hydrochloric Acid SCHEMBL7372147 0.78 KDM4E (0.47) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7363323 0.78 KDM4E (0.47) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7367667 0.75 KDM4E (0.45) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL8093133 0.68 KDM4E (0.49) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL7025925 0.67
SCHEMBL31669038 0.67 KDM4E (0.57) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL3319088 0.67 KDM4E (0.57) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL7744084 0.67 KDM4E (0.57) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL7743516 0.67 KDM4E (0.57) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL6506166 0.67 KDM4E (0.45) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9

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-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed