SCHEMBL7988697

SCHEMBL7988697

CCN(CC)c1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADORA2A P29274 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PSMD14 O00487 1/20 0.40
HPGD P15428 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
AURKA O14965 1/20 0.40
GSK3B P49841 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7995572 0.90 AURKA (0.47) GCKMEN1KMT2AMAPTMAPK1
SCHEMBL7977876 0.89 MEN1 (0.51) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL7978582 0.87 RAB9A (0.52) GCKMEN1KMT2AMAPTMAPK1
SCHEMBL7991768 0.87 MEN1 (0.56) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL7977577 0.86 RAB9A (0.47) GCKMEN1KMT2AMAPTMAPK1
SCHEMBL7991866 0.86 MAPK1 (0.51) GCKMEN1KMT2AMAPTMAPK1
SCHEMBL7989723 0.85 MEN1 (0.50) GCKMEN1KMT2AMAPTMAPK1
SCHEMBL7977619 0.85 RAB9A (0.52) GCKMEN1KMT2AMAPTMAPK1
SCHEMBL7992090 0.85 MEN1 (0.52) GCKMEN1KMT2AMAPTMAPK1
SCHEMBL7977883 0.82 LMNA (0.55) GCKMEN1KMT2AMAPTMAPK1

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