SCHEMBL8548699

SCHEMBL8548699

CCOC(=O)c1cc2cc(C#N)ccc2[nH]1.N#Cc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.65
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 1/20 0.62
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MMP13 P45452 8/20 0.57
MMP2 P08253 6/20 0.57
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
MMP14 P50281 4/20 0.54

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 0.95 KDM4E (0.68) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL8645820 0.94 KDM4E (0.67) HRH3KDM4EALDH1A1HPGDRAB9A
Alcohol SCHEMBL27477859 0.87 KDM4E (0.55) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL1609672 0.85 SMAD3 (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3579275 0.85 MMP13 (0.70) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL327246 0.85 ALOX15 (0.65) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL31735834 0.85 ALOX15 (0.65) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL3264625 0.83 KDM4E (0.54) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL6517276 0.82 RAB9A (0.68) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL3264118 0.82 KDM4E (0.52) HRH3KDM4EALDH1A1HPGDRAB9A

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