SCHEMBL8985281

SCHEMBL8985281

COc1ccccc1NC(=O)C1CCc2nccn2C1/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
ALOX15 P16050 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 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
SCHEMBL8985169 0.71 KDM4E (0.57) KDM4ETSHRSMN1; SMN2ALOX15ACHE
Fumaric Acid SCHEMBL8985248 0.69 KDM4E (0.57) KDM4ETSHRSMN1; SMN2ALOX15ACHE
Fumaric Acid SCHEMBL9570749 0.69 KDM4E (0.57) KDM4ETSHRSMN1; SMN2ALOX15ACHE
SCHEMBL8985219 0.68 ACHE (0.45) KDM4ETSHRSMN1; SMN2ALOX15ACHE
SCHEMBL10839081 0.68 SMN1; SMN2 (0.59) KDM4ETSHRSMN1; SMN2ALOX15ACHE
SCHEMBL8985153 0.67 KDM4E (0.63) KDM4ETSHRSMN1; SMN2ALOX15ACHE
SCHEMBL27339399 0.63 SMN1; SMN2 (0.85) KDM4ETSHRSMN1; SMN2ALOX15ACHE
SCHEMBL28708244 0.62 ACHE (0.54) KDM4ETSHRSMN1; SMN2ALOX15ACHE
SCHEMBL1167513 0.61 SMN1; SMN2 (0.65) KDM4ETSHRSMN1; SMN2ALOX15ACHE
Fumaric Acid SCHEMBL7354754 0.61 KDM4E (0.48) KDM4ETSHRSMN1; SMN2ALOX15ACHE

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
US-5547961-A USING TETRAHYDROIMIDAZOPYRIDINE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 US disclosed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP disclosed