SCHEMBL4535349

SCHEMBL4535349

CCNc1ccccc1OCCOc1ccccc1NCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRB2 P07550 1/20 0.42
HTR1B P28222 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
PKM P14618 1/20 0.42
NLRP1 Q9C000 1/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL19001343 0.94 THRB (0.48) TDP1THRBMAPTL3MBTL1NPSR1
SCHEMBL16417513 0.89 THRB (0.47) TDP1THRBMAPTKMT2ANPC1
SCHEMBL147183 0.88 GAA (0.56) MAPTL3MBTL1KMT2AGAALMNA
SCHEMBL10490528 0.87 KMT2A (0.50) TDP1THRBMAPTNPSR1KMT2A
SCHEMBL10490472 0.87 KMT2A (0.50) TDP1THRBMAPTNPSR1KMT2A
SCHEMBL9461095 0.81 BRD4 (0.59) TDP1THRBMAPTL3MBTL1KMT2A
SCHEMBL1022424 0.81 CHRM2 (0.58) TDP1MAPTL3MBTL1KMT2ANPC1
SCHEMBL30994802 0.81 CHRM2 (0.58) TDP1MAPTL3MBTL1KMT2ANPC1
SCHEMBL22369385 0.79 IDO1 (0.40) TDP1THRBMAPTL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL27890009 0.79 CHRM2 (0.61) TDP1MAPTL3MBTL1KMT2ANPC1

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-20140311347-A1 POLANILINE BASED MEMBRANES FOR SEPARATION OF CARBON DIOXIDE AND METHANE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-23 US disclosed
WO-2013130143-A9 POLYANILINE BASED MEMBRANES FOR SEPARATION OF CARBON DIOXIDE AND METHANE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-12-27 WO disclosed
WO-2013130143-A2 POLANILINE BASED MEMBRANES FOR SEPARATION OF CARBON DIOXIDE AND METHANE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-06 WO disclosed
EP-2076557-A1 POLYLYSINE DENDRIMER CONTRAST AGENT Starpharma Pty Ltd (AU) 2009-07-08 EP disclosed
WO-2008017122-A1 POLYLYSINE DENDRIMER CONTRAST AGENT STARPHARMA PTY LTD (AU) 2008-02-14 WO disclosed