SCHEMBL7995211

SCHEMBL7995211

CCOc1ccc(-c2[nH]c(-c3cccc(NC)c3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MAPK1 P28482 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ HK1 P19367 1/20 0.43

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
SCHEMBL7995546 0.91 MAPK1 (0.55) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL7992014 0.90 RAB9A (0.50) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL7991501 0.90 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL7977726 0.89 RAB9A (0.51) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL7992106 0.88 RAB9A (0.50) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL7995895 0.88 MEN1 (0.47) SMN1; SMN2RAB9ANPC1MAPK1L3MBTL1
SCHEMBL7991873 0.88 RAB9A (0.45) SMN1; SMN2RAB9ANPC1MAPK1L3MBTL1
SCHEMBL7991849 0.86 MEN1 (0.48) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL7990033 0.86 MAPT (0.51) SMN1; SMN2RAB9ANPC1HPGDMAPK1
SCHEMBL7977809 0.84 RAB9A (0.51) SMN1; SMN2RAB9ANPC1HPGDMAPK1

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
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