SCHEMBL7295236

SCHEMBL7295236

CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
MAPT P10636 6/20 0.64
RAB9A P51151 6/20 0.57
MAPK1 P28482 5/20 0.57
ALDH1A1 P00352 3/20 0.57
GLA P06280 1/20 0.57
CASP3 P42574 1/20 0.57
HTT P42858 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
GALR3 O60755 1/20 0.55
LMNA P02545 3/20 0.52
GAA P10253 1/20 0.51
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
NAMPT P43490 1/20 0.48
HCAR3 P49019 1/20 0.47

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
SCHEMBL7245174 0.81 NPC1 (0.76) NPC1MAPTRAB9AMAPK1ALDH1A1
SCHEMBL4559509 0.80 SMN1; SMN2 (0.59) NPC1MAPTRAB9AALDH1A1HTT
SCHEMBL7302329 0.79 RAB9A (0.76) NPC1RAB9AMAPK1ALDH1A1HTT
SCHEMBL6705978 0.78 MAPT (1.00) NPC1MAPTRAB9AMAPK1ALDH1A1
SCHEMBL14527424 0.77 RAB9A (0.63) NPC1MAPTRAB9AMAPK1ALDH1A1
SCHEMBL6709848 0.76 NPC1 (0.78) NPC1MAPTRAB9AMAPK1ALDH1A1
SCHEMBL7301496 0.75 HTT (0.73) NPC1MAPTRAB9AMAPK1ALDH1A1
SCHEMBL7302107 0.74 NPC1 (0.69) NPC1MAPTRAB9AMAPK1ALDH1A1
SCHEMBL6169544 0.73 NPC1 (0.78) NPC1MAPTRAB9AMAPK1ALDH1A1
SCHEMBL3021071 0.73 LMNA (0.64) NPC1MAPTRAB9AALDH1A1HTT

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
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed