SCHEMBL7323862

SCHEMBL7323862

CCCCc1n[nH]c(N)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS2 P35228 1/20 0.34
POLB P06746 1/20 0.34
TKT P29401 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL7316858 0.88 GAA (0.42) GAATSHRMAPTMAPK1LMNA
SCHEMBL14782532 0.82 GAA (0.46) GAATSHRMAPTMAPK1LMNA
SCHEMBL15334779 0.79 DYRK1A (0.41) GAATSHRMAPTMAPK1LMNA
SCHEMBL7320150 0.79
SCHEMBL17500332 0.78 MAPT (0.41) GAATSHRMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL11445607 0.77 GAA (0.41) GAALMNAALDH1A1NPC1RAB9A
SCHEMBL3664202 0.76 GAA (0.42) GAATSHRMAPTMAPK1LMNA
SCHEMBL11969244 0.74 GAA (0.41) GAATSHRMAPTMAPK1LMNA
SCHEMBL14783012 0.74 GAA (0.41) GAATSHRMAPTMAPK1LMNA
SCHEMBL4758500 0.74 MAPK1 (0.41) GAATSHRMAPTMAPK1LMNA

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