SCHEMBL7989960

SCHEMBL7989960

CC(=O)OCCOc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PSMD14 O00487 1/20 0.45
HK1 P19367 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
HSD17B10 Q99714 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 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
SCHEMBL7977714 0.92 MEN1 (0.55) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7988204 0.92 ALDH1A1 (0.53) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7977686 0.91 MEN1 (0.55) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7977912 0.90 ALDH1A1 (0.54) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7991986 0.88 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7978135 0.87 ALOX5 (0.56) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7977461 0.83 MEN1 (0.52) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7988792 0.83 MEN1 (0.52) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7988486 0.83 MEN1 (0.60) ALDH1A1RAB9AHPGDNPC1L3MBTL1
SCHEMBL7989004 0.83 MEN1 (0.58) ALDH1A1RAB9AHPGDNPC1L3MBTL1

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