SCHEMBL5526074

SCHEMBL5526074

Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1N

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.67
RAB9A P51151 11/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PKM P14618 5/20 0.66
LMNA P02545 2/20 0.66
TP53 P04637 2/20 0.66
GAA P10253 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.62
HSP90AA1 P07900 1/20 0.62
PAX8 Q06710 1/20 0.62
MAOB P27338 1/20 0.60
ADORA2A P29274 1/20 0.60
CYP3A4 P08684 1/20 0.59
SCD O00767 1/20 0.55
OPRK1 P41145 1/20 0.55
KLF5 Q13887 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL27877970 0.91 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11706323 0.86 NPC1 (0.83) NPC1RAB9AMEN1KMT2APKM
SCHEMBL27724289 0.82 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL4244455 0.82 NPC1 (0.64) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11705400 0.81 NPC1 (0.74) NPC1RAB9AMEN1KMT2APKM
SCHEMBL17372932 0.80 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL31329344 0.80 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11706898 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2243443 0.80 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL28376614 0.80 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed