SCHEMBL11276468

SCHEMBL11276468

c1ccc2c(c1)ccc1nc(C3OO3)cn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PBRM1 Q86U86 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NTRK1 P04629 1/20 0.31
IGF1R P08069 1/20 0.31
FGFR1 P11362 1/20 0.31
LTK P29376 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAPK9 P45984 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PRKX P51817 1/20 0.31
PRKCQ Q04759 1/20 0.31
TNK2 Q07912 1/20 0.31
CLK4 Q9HAZ1 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
SCHEMBL3487056 0.73 MAP3K5 (0.42) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL1772738 0.73 SMN1; SMN2 (0.49) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL1772736 0.73 MAP3K5 (0.42) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL10733216 0.72 ADORA2A (0.48) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL13325889 0.70 MAPT (0.41) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL3335727 0.69 MAP3K5 (0.39) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL13424029 0.69 MAP3K5 (0.51) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL10728994 0.69 MAP3K5 (0.39) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL2929504 0.69 MAP3K5 (0.42) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL10778465 0.69 ALDH1A1 (0.54) MAP3K5SMN1; SMN2ALDH1A1MAPTCYP2C9

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
US-4333934-A ANTIALLERGIC ACTIVITY ROUSSEL UCLAF (FR) 1982-06-08 US disclosed