SCHEMBL8985443

SCHEMBL8985443

COc1ccccc1NC(=O)C1CCn2cnc(C)c2C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MGLL Q99685 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL8985153 0.80 KDM4E (0.63) KDM4EACHEBACE1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL9570749 0.75 KDM4E (0.57) KDM4EACHEBACE1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL8985248 0.75 KDM4E (0.57) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL27339399 0.75 SMN1; SMN2 (0.85) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL8985219 0.74 ACHE (0.45) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL8985208 0.72 KDM4E (0.41) KDM4ELMNAALDH1A1KMT2AMEN1
Fumaric Acid SCHEMBL7354752 0.72 KDM4E (0.48) KDM4EACHEBACE1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL7354754 0.72 KDM4E (0.48) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL7330529 0.72 KDM4E (0.48) KDM4EACHEBACE1SMN1; SMN2LMNA
SCHEMBL14503304 0.71 SMN1; SMN2 (1.00) KDM4EACHEBACE1SMN1; SMN2LMNA

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 4 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 claimed
US-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US claimed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP claimed
US-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed