SCHEMBL12498669

SCHEMBL12498669

CCn1c2ccccc2c2ccccc21.[H+]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
KDM4E B2RXH2 9/20 0.66
MAPT P10636 6/20 0.66
HSD17B10 Q99714 4/20 0.66
HTT P42858 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPK1 P28482 3/20 0.66
HPGD P15428 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
HBB P68871 1/20 0.66
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 5/20 0.56
NPSR1 Q6W5P4 2/20 0.55
NSD2 O96028 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
PTGER4 P35408 1/20 0.55
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL151563 0.97 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL29360167 0.97 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL29963695 0.97 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL31676670 0.95 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL28676971 0.95 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHSD17B10HTT
Bromide SCHEMBL38662800 0.93 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTHSD17B10HTT
Ethylene SCHEMBL28271437 0.93 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTHSD17B10HTT
Methylene Chloride SCHEMBL27746529 0.91 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHSD17B10HTT
Formaldehyde SCHEMBL27505377 0.91 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTHSD17B10HTT
SCHEMBL13979310 0.89 KDM4E (0.70) ALDH1A1KDM4EMAPTHSD17B10HTT

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
CN-113332933-A Vehicle-mounted organic liquid hydride dehydrogenation reactor 南京工业大学 2021-09-03 CN disclosed
EP-2668192-A1 BORON-NITROGEN HETEROCYCLES State of Oregon acting by and through The State Board of Higher Education on Behalf of the University of Oregon (US) 2013-12-04 EP disclosed
US-20130283675-A1 BORON-NITROGEN HETEROCYCLES EDUCATION ON BEHALF OF UNIVERSITY OF OREGON (US) 2013-10-31 US disclosed
WO-2012103251-A1 BORON-NITROGEN HETEROCYCLES STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUC.ON BEHALF OF THE UNIV. OF OREGON (US) 2012-08-02 WO disclosed