SCHEMBL16844879

SCHEMBL16844879

Cc1cc([N+](=O)O)c2nc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
MAOB P27338 3/20 0.35
ALK Q9UM73 1/20 0.33
MIF P14174 3/20 0.32
SLC16A3 O15427 1/20 0.32
ESR1 P03372 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL16844873 0.92 NPC1 (0.37) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL15069243 0.92 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL15069159 0.88 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL16669325 0.86 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL15068576 0.86 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL15069315 0.85 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL15086257 0.85 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL15069035 0.84 MAPT (0.44) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL15068439 0.83 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL21301285 0.83 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTPOLB

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
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed