SCHEMBL6683364

SCHEMBL6683364

CCOc1cc(C(=O)Nc2ccncc2)ccc1CCN

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ROCK2 O75116 5/20 0.53
STAT3 P40763 1/20 0.50
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ATP4A P20648 2/20 0.48
ATP4B P51164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL5126387 0.80 KDM4E (0.55) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL3412784 0.80 MAPT (0.58) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL5128486 0.80 KDM4E (0.55) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL2470980 0.80 GAA (0.66) GAALMNAHTTKMT2AMEN1
SCHEMBL2470984 0.80 GAA (0.66) GAALMNAHTTKMT2AMEN1
SCHEMBL5132595 0.79 KMT2A (0.66) LMNAKMT2AMEN1ALDH1A1PKM
SCHEMBL3416255 0.76 POLB (0.62) GAALMNAHTTKMT2AMEN1
SCHEMBL4521944 0.75 ROCK2 (0.56) GAALMNAHTTKMT2AMEN1
SCHEMBL29013030 0.74 LMNA (1.00) GAALMNAHTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4508678 0.74 ROCK2 (0.55) GAALMNAHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed