SCHEMBL6028020

SCHEMBL6028020

NC(=O)OCc1ccc(-c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
SRC P12931 1/20 0.42
GRM5 P41594 1/20 0.42
MKNK1 Q9BUB5 2/20 0.40
CHEK2 O96017 1/20 0.40
HIF1A Q16665 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAP4K4 O95819 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL5397142 0.84 ALDH1A1 (0.50) SRCHIF1ALIPGSMN1; SMN2LMNA
SCHEMBL27518575 0.80 TDP1 (0.49) SRCLIPGSMN1; SMN2ALOX5
SCHEMBL30440577 0.79 SRC (0.51) KDM4ESRCMKNK1CHEK2HIF1A
SCHEMBL22557366 0.77 ADRA2A (0.38) KDM4EGRM5SMN1; SMN2LMNANPC1
SCHEMBL18131222 0.77 CHEK2 (0.40) KDM4EGRM5MKNK1CHEK2SMN1; SMN2
SCHEMBL18661930 0.76 IDO1 (0.57) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL17674283 0.76 KDM4E (0.42) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL11917561 0.75 LMNA (0.55) SRCHIF1ALIPGSMN1; SMN2LMNA
SCHEMBL6223872 0.75 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL7607601 0.73 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2LMNANPC1RAB9A

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-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed