SCHEMBL7991985

SCHEMBL7991985

COc1ccc(-c2[nH]c(-c3cccc(N(C)C)c3)nc2C(=O)Nc2nncs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
COMT P21964 1/20 0.41
MAPT P10636 5/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
POLQ O75417 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NR3C1 P04150 2/20 0.39
ALDH1A1 P00352 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
PIN1 Q13526 1/20 0.38

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
SCHEMBL7989576 0.91 RAB9A (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL7977897 0.89 RAB9A (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1COMT
SCHEMBL7995060 0.88 COMT (0.47) SMN1; SMN2RAB9ANPC1L3MBTL1COMT
SCHEMBL7977664 0.86 MAPK1 (0.55) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL7989018 0.85 MAPT (0.47) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL7988044 0.83 NPC1 (0.47) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL7978021 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1L3MBTL1COMT
SCHEMBL7992142 0.83 RAB9A (0.47) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL7992115 0.81 RAB9A (0.51) SMN1; SMN2RAB9ANPC1L3MBTL1COMT
SCHEMBL7988275 0.80 MAPT (0.48) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT

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