SCHEMBL28945095

SCHEMBL28945095

C=CC(C(=O)O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CFTR P13569 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ GOPC Q9HD26 1/20 0.47
▸ TBXAS1 P24557 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ APP P05067 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HCAR3 P49019 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ KCNN4 O15554 2/20 0.42
▸ KCNA5 P22460 2/20 0.42
▸ GRM8 O00222 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40

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
SCHEMBL10387019 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2697214 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL21119246 0.79 CYP1A2 (0.57) KDM4ELMNAL3MBTL1HPGD
SCHEMBL622284 0.79 CYP1A2 (0.57) KDM4ELMNAL3MBTL1HPGD
SCHEMBL12833352 0.79 CYP1A2 (0.57) KDM4ELMNAL3MBTL1HPGD
SCHEMBL7395486 0.78 NAPRT (0.40) SMN1; SMN2SLC6A2SLC6A4SLC6A3ALDH1A1
Trifluoroacetic Acid SCHEMBL3940934 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10627471 0.77 CYP1A2 (0.55) GAALMNAL3MBTL1HPGD
SCHEMBL27976059 0.77 CYP1A2 (0.55) LMNAL3MBTL1HPGD
SCHEMBL1515205 0.77 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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
CN-102224152-A Pyrazolopyridine pi3k inhibitor compounds and methods of use GENENTECH INC 2011-10-19 — — CN disclosed
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