SCHEMBL324302

SCHEMBL324302

N=C(N)NCCc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
F13A1 P00488 1/20 0.51
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ST14 Q9Y5Y6 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1286912 0.94 KDM4E (0.56) KDM4EF13A1TMEM97SIGMAR1ST14
SCHEMBL17199010 0.86 MEN1 (0.50) ST14TAAR1NPC1GAARAB9A
Hydrochloric Acid SCHEMBL28129406 0.84 MEN1 (0.49) ST14TAAR1NPC1GAARAB9A
SCHEMBL12401907 0.81 ST14 (0.51) KDM4EF13A1ST14TAAR1NPC1
SCHEMBL17777450 0.81 KDM4E (0.50) KDM4EF13A1TMEM97SIGMAR1ST14
[11C]Phenethylguanidine SCHEMBL28305964 0.80 NPC1 (0.53) KDM4ETAAR1CYP2C19NPC1CYP1A2
SCHEMBL6682640 0.79 ST14 (0.50) KDM4EF13A1TMEM97SIGMAR1ST14
SCHEMBL6679010 0.79 ST14 (0.50) KDM4EF13A1ST14NPC1CYP2D6
Hydrochloric Acid SCHEMBL19371472 0.79 KDM4E (0.49) KDM4EF13A1TMEM97SIGMAR1ST14
SCHEMBL15244717 0.79 ST14 (0.44) ST14ESR1ESR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120167451-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-07-05 US disclosed
WO-2012006316-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-01-12 WO disclosed
US-20100037513-A1 Biofuel Composition and Method of Producing a Biofuel NEW GENERATION BIOFUELS, INC. (US) 2010-02-18 US disclosed
EP-2010631-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL New Generation Biofuels, Inc. (US) 2009-01-07 EP disclosed
WO-2007127059-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL NEW GENERATION BIOFUELS, INC. (US) 2007-11-08 WO disclosed