SCHEMBL7989576

SCHEMBL7989576

COc1ccc(-c2[nH]c(-c3ccc(N(C)C)cc3)nc2C(=O)Nc2nncs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
AURKA O14965 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 9/20 0.42
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NOX1 Q9Y5S8 2/20 0.39
TP53 P04637 2/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 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
SCHEMBL7991985 0.91 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7988044 0.89 NPC1 (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7992142 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7988275 0.85 MAPT (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7989229 0.85 MEN1 (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1AURKA
SCHEMBL7977897 0.83 RAB9A (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7991845 0.82 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7995060 0.82 COMT (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7989018 0.80 MAPT (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL7991736 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2AURKAGAA

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