SCHEMBL1127158

SCHEMBL1127158

Cc1cn(C)c(C(=O)C(=O)Nc2ccc(-c3ncco3)cc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC4 P56524 1/20 0.39
BRD4 O60885 2/20 0.37
LTA4H P09960 3/20 0.37
PORCN Q9H237 2/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
FLT1 P17948 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL1127228 0.81 FAAH (0.40) FAAHEPHX2HDAC4BRD4LTA4H
SCHEMBL1127168 0.76 CHRNA7 (0.39) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL1127139 0.76 MAPT (0.48) NPC1RAB9ASMN1; SMN2PKMMEN1
SCHEMBL1127213 0.74 NPC1 (0.39) FAAHEPHX2HDAC4LTA4HPORCN
SCHEMBL1126595 0.73 RAB9A (0.48) HDAC4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1645643 0.73 L3MBTL1 (0.53) FAAHEPHX2HDAC4LTA4HNPC1
SCHEMBL1126845 0.72 HCRTR1 (0.41) PORCNNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28723922 0.72 HDAC4 (0.50) FAAHEPHX2HDAC4LTA4HNPC1
SCHEMBL1126693 0.71 MEN1 (0.49) SMN1; SMN2NFKB1MEN1KMT2APOLB
SCHEMBL1126737 0.70 BRD4 (0.38) BRD4SMN1; SMN2KMT2AKDM4EMAPT

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed