SCHEMBL1126579

SCHEMBL1126579

O=CC(=O)Nc1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
NAPRT Q6XQN6 1/20 0.34
ATM Q13315 1/20 0.34
KCNMA1 Q12791 1/20 0.34
MAPT P10636 5/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
AHR P35869 1/20 0.33
CYP1B1 Q16678 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL9420483 0.82 TGM2 (0.50) LMNA
SCHEMBL29994134 0.79 RAB9A (0.39) POLBNAPRTATMKCNMA1MAPT
SCHEMBL3081010 0.77
SCHEMBL2462955 0.77
SCHEMBL28378287 0.76 TSHR (0.36) POLBATMKCNMA1MAPTRAB9A
SCHEMBL3422822 0.75 EGFR (0.60) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL4419122 0.75
SCHEMBL2465909 0.75
SCHEMBL3477030 0.75
SCHEMBL4413676 0.74 MAPT (0.44) POLBATMMAPTRAB9AMEN1

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

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