SCHEMBL7989018

SCHEMBL7989018

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HTT P42858 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
HCRTR1 O43613 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 4/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 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
SCHEMBL7988275 0.91 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL7977897 0.86 RAB9A (0.46) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL7995060 0.85 COMT (0.47) MAPTMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL7991985 0.85 SMN1; SMN2 (0.46) MAPTMEN1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL7977757 0.85 MEN1 (0.53) MAPTMEN1KMT2APLGPLAU
SCHEMBL7988044 0.81 NPC1 (0.47) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL7978046 0.81 RAB9A (0.48) MAPTMEN1KMT2APLGPLAU
SCHEMBL7989904 0.81 MEN1 (0.54) MAPTMEN1KMT2APLGPLAU
SCHEMBL7978021 0.81 SMN1; SMN2 (0.43) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL7992142 0.81 RAB9A (0.47) MAPTMEN1KMT2ASMN1; SMN2CYP2C19

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