SCHEMBL8645820

SCHEMBL8645820

CCOC(=O)c1cc2cc(C#N)ccc2[nH]1.[Zn]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.67
NPC1 O15118 2/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
MMP13 P45452 9/20 0.61
MMP2 P08253 6/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.58
MMP14 P50281 4/20 0.57

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
SCHEMBL1420412 0.99 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8548699 0.94 HRH3 (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3579275 0.89 MMP13 (0.70) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31735834 0.88 ALOX15 (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL327246 0.88 ALOX15 (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3264625 0.87 KDM4E (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6517276 0.85 RAB9A (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3264118 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6524973 0.84 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1616056 0.83 XDH (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-0832066-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed