SCHEMBL7978046

SCHEMBL7978046

COc1ccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2C(=O)NC2=NCCS2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
NPBWR1 P48145 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
SCHEMBL7977378 0.91 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7978151 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7992115 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7991835 0.86 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7989176 0.82 NPC1 (0.55) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7989018 0.81 MAPT (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7990066 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7991736 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7977681 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7989904 0.80 MEN1 (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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