SCHEMBL7977378

SCHEMBL7977378

COc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)NC2=NCCS2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
KMT2A Q03164 8/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
MAPT P10636 7/20 0.46
MEN1 O00255 7/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MAPK1 P28482 1/20 0.46
STAT1 P42224 1/20 0.46
HTT P42858 1/20 0.46
NPBWR1 P48145 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7978046 0.91 RAB9A (0.48) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7989176 0.87 NPC1 (0.55) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7991736 0.86 RAB9A (0.54) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7977681 0.86 RAB9A (0.54) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7992115 0.81 RAB9A (0.51) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7978151 0.81 RAB9A (0.51) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7995308 0.81 NPC1 (0.48) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7991835 0.81 RAB9A (0.50) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7988275 0.79 MAPT (0.48) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL7988455 0.79 BACE1 (0.51) RAB9ANPC1KMT2ASMN1; SMN2MAPT

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