SCHEMBL7989696

SCHEMBL7989696

COCCOc1ccc(-c2nc(C(=O)O)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
MAPT P10636 9/20 0.46
TP53 P04637 2/20 0.46
CHEK2 O96017 1/20 0.44
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
MAPK14 Q16539 3/20 0.44
GCGR P47871 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DHODH Q02127 1/20 0.43
TGFBR1 P36897 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7977691 0.89 PRKAB2 (0.46) MAPTTP53CHEK2GCGRMEN1
SCHEMBL7988623 0.87 ALOX5 (0.52) ALOX5MAPTTP53MAPK13MAPK12
SCHEMBL7991760 0.86 PRKAB2 (0.44) MAPTTP53CHEK2MEN1KMT2A
SCHEMBL7991891 0.86 PRKAB2 (0.44) MAPTTP53CHEK2MEN1KMT2A
SCHEMBL7989419 0.83 MAPT (0.48) MAPTTP53CHEK2GCGRMEN1
SCHEMBL7989935 0.83 MAPT (0.48) MAPTTP53CHEK2GCGRMEN1
SCHEMBL7977622 0.82 DHODH (0.58) CHEK2MEN1KMT2ADHODH
SCHEMBL7977456 0.81 DHODH (0.44) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL7988204 0.81 ALDH1A1 (0.53) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL7977351 0.78 PDE3B (0.43) MAPTCHEK2MAPK13MAPK12MAPK11

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed