SCHEMBL7992106

SCHEMBL7992106

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 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
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PSMD14 O00487 1/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
ALOX15 P16050 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
SCHEMBL7977664 0.91 MAPK1 (0.55) RAB9ANPC1SMN1; SMN2HPGDMAPK1
SCHEMBL7977574 0.91 NPC1 (0.49) RAB9ANPC1SMN1; SMN2HPGDMAPK1
SCHEMBL7977726 0.89 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDMAPK1
SCHEMBL7995211 0.88 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2HPGDMAPK1
SCHEMBL7989511 0.88 MEN1 (0.47) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL7991821 0.88 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL7988543 0.86 KMT2A (0.48) RAB9ANPC1SMN1; SMN2HPGDMAPK1
SCHEMBL7990033 0.86 MAPT (0.51) RAB9ANPC1SMN1; SMN2HPGDMAPK1
SCHEMBL7991501 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HPGDMAPK1
SCHEMBL7977809 0.84 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDMAPK1

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