SCHEMBL7316858

SCHEMBL7316858

CCCc1n[nH]c(N)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
POLB P06746 2/20 0.42
TKT P29401 1/20 0.35
BRD4 O60885 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
ALPL P05186 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
RECQL P46063 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 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
SCHEMBL7323862 0.88 GAA (0.45) GAAPOLBTKTBRD4MAPT
SCHEMBL7320150 0.82
Hydrochloric Acid SCHEMBL11445607 0.80 GAA (0.41) GAAPOLBBRD4LMNANPC1
Hydrochloric Acid SCHEMBL6557329 0.74 GAA (0.40) GAAPOLBMAPTMAPK1ALPL
SCHEMBL4931757 0.72 MAPK1 (0.50) GAAPOLBMAPTMAPK1TSHR
SCHEMBL27614783 0.71 SMN1; SMN2 (0.35) POLBMAPTALPLTSHRHTT
SCHEMBL21585140 0.70 PDE4D (0.50) GAAPOLBMAPTMAPK1LMNA
SCHEMBL13516628 0.70 MAPK1 (0.37) GAAPOLBBRD4MAPTMAPK1
SCHEMBL17500332 0.69 MAPT (0.41) GAAMAPTMAPK1TSHRLMNA
SCHEMBL23384516 0.68 HCAR2 (0.35) MAPTMAPK1ALPLHTTGLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed